SCHEMBL11230769

SCHEMBL11230769

COc1cc2c(cc1C(F)(F)F)C(COCCCl)SCCC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.42
HTR2C P28335 4/20 0.42
HTR2B P41595 3/20 0.42
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1E P28566 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.31
MTNR1B P49286 1/20 0.30

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
SCHEMBL11225727 0.89 ALDH1A1 (0.37) KDM4EALDH1A1L3MBTL1KMT2AMTNR1B
SCHEMBL11221342 0.84 HTR2C (0.40) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL11220242 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL11226721 0.80
SCHEMBL11223974 0.78 HTR2A (0.42) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL11217338 0.77 SMN1; SMN2 (0.37) KDM4EALDH1A1L3MBTL1MTNR1B
SCHEMBL11218492 0.76 HTR2C (0.31) HTR2C
SCHEMBL11229370 0.76 ATM (0.35) KDM4EALDH1A1
SCHEMBL11228955 0.74 HTR2A (0.49) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL11232820 0.74 CHRNA7 (0.33) HTR1AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352805-A BENZOXEPINE DERIVATIVES THE UPJOHN COMPANY (US) 1982-10-05 US disclosed
US-4312868-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1982-01-26 US disclosed
US-4251526-A HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC PHARMACIA & UPJOHN COMPANY 1981-02-17 US disclosed
US-4250175-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS PHARMACIA & UPJOHN COMPANY 1981-02-10 US disclosed
US-4250181-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-02-10 US disclosed
US-4247553-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-01-27 US disclosed
US-4179510-A ISOCHROMANS AND 2-BENZOXEPINS THE UPJOHN COMPANY (US) 1979-12-18 US disclosed
US-4166062-A HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-08-28 US disclosed
US-4153612-A 2-Benzoxepins THE UPJOHN COMPANY (US) 1979-05-08 US disclosed