Sugi Predict

Sugi Predict / Compounds / SCHEMBL7000976

SCHEMBL7000976

SCHEMBL7000976

COc1ccc2ccccc2c1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 3/20 0.54
▸ HTR3B O95264 3/20 0.54
▸ HTR3A P46098 3/20 0.54
▸ HTR3D Q70Z44 3/20 0.54
▸ HTR3C Q8WXA8 3/20 0.54
▸ HTR6 P50406 3/20 0.54
▸ SIGMAR1 Q99720 2/20 0.54
▸ ADRB1 P08588 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HTR7 P34969 3/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ NCF1 P14598 1/20 0.51
▸ TSHR P16473 1/20 0.51

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
SCHEMBL6997562 0.80 CYP1A2 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27635395 0.79 HTR6 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4849552 0.79 HTR3A (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6637406 0.77 NCF1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6636871 0.77 HTR2C (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5366514 0.76 HTR6 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16835449 0.76 HTR6 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2284775 0.75 MEN1 (0.73) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL30099612 0.75 MEN1 (0.73) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL4895338 0.75 HTR6 (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023296-B1 3-SUBSTITUTED PYRIDO 3',4':4,5] THIENO 2,3-D] PYRIMIDINE DERIVATIVES, AND PRODUCTION AND USE OF THE SAME ABBOTT GMBH & CO KG (DE) 2003-12-17 — — EP disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 — — US disclosed
US-6355647-B1 INHIBIT THE SEROTONIN REUPTAKE. HYPERPROLACTINEMIA, VASOSPASMS, HYPERTENSION, GASTROINTESTINAL DISORDERS ASSOCIATED WITH MOTILITY AND SECRETION ABBOTT LABORATORIES 2002-03-12 — — US disclosed
EP-1140096-A1 UTILIZATION OF PYRIMIDINE DERIVATIVES FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA BASF AKTIENGESELLSCHAFT (DE) 2001-10-10 — — EP disclosed
US-6159981-A 3-substituted pyrido [3',4':4,5] Thieno [2,3-d] pyrimidine derivatives, and production and use of the same BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 — — US disclosed
EP-1023296-A1 3-SUBSTITUTED PYRIDO 3',4':4,5] THIENO 2,3-D] PYRIMIDINE DERIVATIVES, AND PRODUCTION AND USE OF THE SAME BASF AKTIENGESELLSCHAFT (DE) 2000-08-02 — — EP disclosed
WO-2000041695-A1 UTILIZATION OF PYRIMIDINE DERIVATIVES FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 — — WO disclosed
EP-1003752-A1 3-SUBSTITUTED 3,4,5,7-TETRAHYDRO-PYRROLO3',4':4,5 THIENO2,3-DPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS 5HT ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 — — EP disclosed
WO-1999007711-A1 3-SUBSTITUTED 3,4,5,7-TETRAHYDRO-PYRROLO3',4':4,5 THIENO2,3-DPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS 5HT ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 — — WO disclosed
WO-1998056793-A1 3-SUBSTITUTED PYRIDO [3',4':4,5] THIENO [2,3-D] PYRIMIDINE DERIVATIVES, AND PRODUCTION AND USE OF THE SAME BASF AKTIENGESELLSCHAFT (DE) 1998-12-17 — — WO disclosed