SCHEMBL11219797

SCHEMBL11219797

COc1cc2c(c(OC)c1OC)C(C(C)Cl)OCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.39
DRD1 P21728 2/20 0.38
ALOX5 P09917 1/20 0.37
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR7 P34969 2/20 0.36
HTR2B P41595 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP2 O95551 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
CASP3 P42574 2/20 0.36
RAD52 P43351 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD2 P14416 1/20 0.36
PTPRCAP Q14761 1/20 0.36

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
SCHEMBL11232884 0.84 HTR2C (0.33) DRD1HTR1AHTR2AHTR2CHTR7
SCHEMBL11220353 0.80 MAOA (0.41) DRD1RAD52DRD2
SCHEMBL11370360 0.80 MAOA (0.41) DRD1RAD52DRD2
SCHEMBL11223943 0.78 ATM (0.41) ATMDRD1ALOX5HTR1AHTR2A
SCHEMBL11216838 0.77 HTR1A (0.40) HTR1A
SCHEMBL11219800 0.75 ATM (0.38) ATMDRD1PTPN1ACHETDP1
SCHEMBL11220867 0.75 HTR2C (0.49) DRD1HTR2AHTR2CHTR2BKDM4E
SCHEMBL11220182 0.75 ATM (0.40) ATMDRD1PTPN1ACHETDP1
SCHEMBL11226062 0.74 DRD2 (0.34) DRD1DRD2
SCHEMBL11229746 0.73 HTR2A (0.46) HTR1AHTR2AHTR2CHTR7HTR2B

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-4250181-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-02-10 US disclosed
US-4250175-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS PHARMACIA & UPJOHN COMPANY 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