SCHEMBL30318752

SCHEMBL30318752

COc1ccc(CNC2(CCc3ccc(C)nc3Cl)CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
SIGMAR1 Q99720 3/20 0.42
KDM4E B2RXH2 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
CLPP Q16740 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
NR3C1 P04150 1/20 0.39
CYP2D6 P10635 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL24853451 1.00 MEN1 (0.42) MEN1KMT2APOLBSIGMAR1KDM4E
SCHEMBL24853455 0.77 SIGMAR1 (0.42) MEN1KMT2APOLBSIGMAR1KDM4E
SCHEMBL30318699 0.77 SIGMAR1 (0.42) MEN1KMT2APOLBSIGMAR1KDM4E
SCHEMBL31207277 0.74 TP53 (0.33) POLBKDM4ECYP3A4ALDH1A1CYP1A2
SCHEMBL31099097 0.74 LMNA (0.40) BACE1MMP13ADAM17ALDH1A1
SCHEMBL31207273 0.74 LMNA (0.40) BACE1MMP13ADAM17ALDH1A1
SCHEMBL24853447 0.71 SIGMAR1 (0.53) MEN1KMT2APOLBSIGMAR1KDM4E
SCHEMBL31099096 0.70 LMNA (0.34) MEN1KMT2AKDM4EBACE1ALDH1A1
SCHEMBL31207239 0.70 LMNA (0.34) MEN1KMT2AKDM4EBACE1ALDH1A1
SCHEMBL31207250 0.70 LMNA (0.34) MEN1KMT2AKDM4EBACE1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116113635-B Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2025-03-18 CN disclosed
WO-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed
CN-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 CN disclosed
CN-116113635-A Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2023-05-12 CN disclosed
EP-4161927-A1 SPIRO COMPOUNDS AS MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2023-04-12 EP disclosed
WO-2023275715-A1 METABOLITES OF SELECTIVE ANDROGEN RECEPTOR MODULATORS PFIZER INC. (US) 2023-01-05 WO disclosed