SCHEMBL9828629

SCHEMBL9828629

COc1cc(OC)cc(N2CCC(=O)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.51
MAOB P27338 3/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 1/20 0.38
PRKDC P78527 1/20 0.38
EGFR P00533 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 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
SCHEMBL10690612 0.89 ADRB1 (0.59) ADRB1POLBALDH1A1ALOX5PRKDC
SCHEMBL9829333 0.86 POLB (0.53) ADRB1MAOBPOLBALDH1A1MAPT
SCHEMBL9831116 0.85 ADRB1 (0.55) ADRB1MAOBPOLBALOX5MAPT
SCHEMBL17893823 0.79 ADRB1 (0.49) ADRB1POLBALDH1A1PRKDCMAPT
SCHEMBL9829549 0.79 MEN1 (0.48) MAOB
SCHEMBL9830621 0.78 MAOB (0.52) MAOBPOLBALDH1A1MAPT
SCHEMBL19545461 0.78 L3MBTL1 (0.49) ADRB1POLBALDH1A1MAPTTSHR
SCHEMBL17902043 0.78 ADRB1 (0.47) ADRB1MAOBPOLBALDH1A1ALOX5
SCHEMBL17893775 0.78 ADRB1 (0.47) ADRB1MAOBPOLBALDH1A1PRKDC
SCHEMBL17893590 0.78 ADRB1 (0.51) ADRB1MAPTALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed