SCHEMBL6629598

SCHEMBL6629598

COc1csc(Oc2ccc(C(=O)NC3CC4CCN(C4)C3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.55
NAAA Q02083 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
GRM5 P41594 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
CCR3 P51677 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL6310504 1.00 CHRNA7 (0.55) CHRNA7NAAAKMT2AMEN1GRM5
SCHEMBL6310510 1.00 CHRNA7 (0.55) CHRNA7NAAAKMT2AMEN1GRM5
SCHEMBL6310757 0.95 CHRNA7 (0.48) CHRNA7NAAAKMT2AMEN1GRM5
SCHEMBL6305841 0.90 CHRNA7 (0.57) CHRNA7KMT2AMEN1L3MBTL1USP30
SCHEMBL6305844 0.90 CHRNA7 (0.57) CHRNA7KMT2AMEN1L3MBTL1USP30
SCHEMBL6631814 0.90 CHRNA7 (0.57) CHRNA7KMT2AMEN1L3MBTL1USP30
SCHEMBL6305055 0.87 CHRNA7 (0.65) CHRNA7KMT2AMEN1GRM5USP30
SCHEMBL6632056 0.87 CHRNA7 (0.65) CHRNA7KMT2AMEN1GRM5USP30
SCHEMBL6305052 0.87 CHRNA7 (0.65) CHRNA7KMT2AMEN1GRM5USP30
SCHEMBL6303021 0.86 CHRNA7 (0.66) CHRNA7NAAAKMT2AMEN1GRM5

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-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed