SCHEMBL7652332

SCHEMBL7652332

COc1cccc(C(C#N)CCCCCCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 2/20 0.42
OPRM1 P35372 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL7656005 1.00 CASR (0.46) CASRSIGMAR1KMT2AOPRM1TDP1
SCHEMBL7661916 0.90 CASR (0.50) CASRKMT2AMAOBMTNR1AMTNR1B
SCHEMBL7311626 0.84 KMT2A (0.43) CASRKMT2AL3MBTL1MTNR1AMTNR1B
SCHEMBL30167310 0.84 KMT2A (0.43) CASRKMT2AL3MBTL1MTNR1AMTNR1B
SCHEMBL620934 0.81 CASR (0.52) CASRSIGMAR1KMT2AMAOBMTNR1A
SCHEMBL5181398 0.79 KMT2A (0.49) CASRKMT2AOPRM1L3MBTL1MTNR1A
SCHEMBL7405335 0.79 CASR (0.47) CASRSIGMAR1KMT2AOPRM1TDP1
SCHEMBL7413751 0.79 CASR (0.47) CASRSIGMAR1KMT2AOPRM1TDP1
SCHEMBL7410294 0.78 KMT2A (0.47) CASRKMT2AL3MBTL1MTNR1AMTNR1B
SCHEMBL3827110 0.78 AOC3 (0.44) KMT2A

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
US-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed