SCHEMBL10270967

SCHEMBL10270967

CC1(C)OB(c2cccc(C3=CCNCC3)c2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.52
SIGMAR1 Q99720 2/20 0.50
QDPR P09417 3/20 0.43
LPL P06858 3/20 0.41
LIPG Q9Y5X9 3/20 0.41
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL22658693 0.86 LIPG (0.43) HTR2CSIGMAR1LPLLIPG
Hydrochloric Acid SCHEMBL29407724 0.85 LIPG (0.42) HTR2CSIGMAR1LPLLIPG
Hydrochloric Acid SCHEMBL28933184 0.85 LIPG (0.42) HTR2CSIGMAR1LPLLIPG
SCHEMBL15721865 0.85 LPL (0.50) HTR2CSIGMAR1QDPRLPLLIPG
SCHEMBL10269098 0.83 HTR2C (0.46) HTR2CSIGMAR1QDPRHTR7HTR6
SCHEMBL904008 0.80 HTR2C (0.54) HTR2CSIGMAR1QDPRHTR7HTR6
SCHEMBL30919843 0.80 P2RX7 (0.47) LPLLIPG
SCHEMBL31334233 0.78 LIPG (0.43) LPLLIPG
SCHEMBL23484478 0.77 MAPK1 (0.50) LPLLIPG
SCHEMBL806784 0.76 LIPG (0.60) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed