Verapamil

Verapamil

SCHEMBL29440902

COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1S

The experimentally established mechanism targets of Verapamil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C known ✓ Q13936 3/20 1.00
CACNA1F known ✓ O60840 2/20 1.00
CACNA1D known ✓ Q01668 2/20 1.00
CACNA1S known ✓ Q13698 2/20 1.00
ABCB1 P08183 9/20 1.00
CYP3A4 P08684 8/20 1.00
ABCC1 P33527 4/20 1.00
KCNH2 Q12809 3/20 1.00
TSHR P16473 3/20 1.00
LMNA P02545 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
CYP2C19 P33261 2/20 1.00
ABCB11 O95342 2/20 1.00
HTR1A P08908 2/20 1.00
ADRA2A P08913 2/20 1.00
DRD2 P14416 2/20 1.00
ADRA2C P18825 2/20 1.00
HTR2A P28223 2/20 1.00
HTR2C P28335 2/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Verapamil SCHEMBL29450374 1.00 ABCB1 (1.00) ABCB1CYP3A4ABCC1KCNH2TSHR
(S)-Verapamil SCHEMBL29768846 1.00 ABCB1 (1.00) ABCB1CYP3A4ABCC1KCNH2TSHR
Dexverapamil SCHEMBL30402443 1.00 ABCB1 (1.00) ABCB1CYP3A4ABCC1KCNH2TSHR
Verapamil SCHEMBL29450364 1.00 ABCB1 (1.00) ABCB1CYP3A4ABCC1KCNH2TSHR
Verapamil SCHEMBL29064783 1.00 ABCB1 (1.00) ABCB1CYP3A4ABCC1KCNH2TSHR
Verapamil SCHEMBL16742 1.00 ABCB1 (1.00) ABCB1CYP3A4ABCC1KCNH2TSHR
Dexverapamil SCHEMBL33297 1.00 ABCB1 (1.00) ABCB1CYP3A4ABCC1KCNH2TSHR
Dexverapamil SCHEMBL29423253 1.00 ABCB1 (1.00) ABCB1CYP3A4ABCC1KCNH2TSHR
Verapamil SCHEMBL1902363 1.00 ABCB1 (1.00) ABCB1CYP3A4ABCC1KCNH2TSHR
(S)-Verapamil SCHEMBL14874635 1.00 ABCB1 (1.00) ABCB1CYP3A4ABCC1KCNH2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117170276-A Temperature detection and intelligent control system based on small microcomputer 中国航空工业集团公司西安航空计算技术研究所 2023-12-05 CN claimed
US-12487235-B2 Compositions and methods for studying drug metabolism BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-12-02 US disclosed
CN-115209733-B Stable agrochemical composition UPL毛里求斯有限公司 2024-07-19 CN disclosed
CN-117597327-A Pharmaceutical preparation 第一波动生物制药股份有限公司 2024-02-23 CN disclosed
CN-117170276-A Temperature detection and intelligent control system based on small microcomputer 中国航空工业集团公司西安航空计算技术研究所 2023-12-05 CN disclosed
CN-110062624-B Application of dihydro berberine compound in preparation of medicines for treating STAT3 signal path related tumor diseases 中国医学科学院药物研究所 2023-07-28 CN disclosed
WO-2023055163-A1 METHOD AND APPARATUS FOR RECOMMENDING NUTRITIONAL SUPPLEMENTS OR NUTRITIONAL SOURCES ON BASIS OF ARTIFICIAL INTELLIGENCE 주식회사 온택트헬스 2023-04-06 WO disclosed
EP-4052279-A1 ION SOURCE Micromass UK Limited (GB) 2022-09-07 EP disclosed
US-11416543-B2 Exam prefetching based on subject anatomy INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-08-16 US disclosed
US-11389171-B2 Integrated system for the infixion and retrieval of implants GOLDSMITH DAVID S (US) 2022-07-19 US disclosed
CN-114559749-A Transfer printer and method 录象射流技术公司 2022-05-31 CN disclosed
CN-114269384-A Compositions for modulating the effects of botulinum neurotoxins 法斯托克斯制药有限公司 2022-04-01 CN disclosed