SCHEMBL8317486

SCHEMBL8317486

COCN1c2cc(CN3CCC(NC(=O)C(N)C(=O)O)CC3)ccc2Sc2nccnc21

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 18/20 0.47
VCAM1 P19320 1/20 0.38
SSTR5 P35346 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
SCHEMBL6749560 0.85 ICAM1 (0.47) ICAM1VCAM1
SCHEMBL8322460 0.79 ICAM1 (0.40) ICAM1VCAM1
SCHEMBL6747260 0.77 ICAM1 (0.35) ICAM1VCAM1
SCHEMBL6746486 0.75 ICAM1 (0.42) ICAM1
SCHEMBL6749298 0.74 ICAM1 (0.57) ICAM1VCAM1
SCHEMBL6745730 0.74 HDAC6 (0.43) ICAM1
SCHEMBL6751892 0.74 ICAM1 (0.43) ICAM1
SCHEMBL6751888 0.74 ICAM1 (0.43) ICAM1
SCHEMBL6748083 0.74 HDAC6 (0.39) ICAM1
SCHEMBL6747276 0.74 HDAC6 (0.42) ICAM1

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
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed