SCHEMBL8327451

SCHEMBL8327451

COc1cc[c]c([C@@H](N)CCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR2A P28223 1/20 0.39
MAOB P27338 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 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
SCHEMBL8328676 1.00 TAAR1 (0.41) TAAR1MEN1KMT2AHTR2AMAOB
SCHEMBL8326680 0.78 ERAP1 (0.37) TAAR1HTR2A
SCHEMBL8321060 0.78 ERAP1 (0.37) TAAR1HTR2A
SCHEMBL3395633 0.74 ERAP1 (0.38) TAAR1HTR2A
SCHEMBL7713131 0.72 TAAR1 (0.57) TAAR1
SCHEMBL7234655 0.72 TAAR1 (0.41) TAAR1MEN1KMT2AHTR2AALDH1A1
SCHEMBL11567095 0.71 CA4 (0.39) MEN1KMT2AMAOBALDH1A1
SCHEMBL6946742 0.70 MEN1 (0.43) TAAR1MEN1KMT2AALDH1A1
SCHEMBL1162783 0.70 CYP1A2 (0.57) TAAR1MEN1KMT2AALDH1A1
SCHEMBL7019024 0.68 LTA4H (0.52) TAAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed