SCHEMBL7498358

SCHEMBL7498358

Cc1nc(-c2ccccc2)nc(N2CCCC2C(=O)N(C)c2ccc(Cl)cc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 5/20 0.39
USP30 Q70CQ3 4/20 0.39
LIPE Q05469 2/20 0.39
CCNE2 O96020 1/20 0.38
IGF1R P08069 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
POLQ O75417 2/20 0.38
ACHE P22303 1/20 0.37
HSD11B1 P28845 1/20 0.37
MAT2A P31153 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
RXRA P19793 1/20 0.37
NR4A2 P43354 1/20 0.37
AADAT Q8N5Z0 1/20 0.36

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
SCHEMBL7506786 0.97 POLQ (0.39) UCHL1USP30LIPECCNE2IGF1R
SCHEMBL7505924 0.95 UCHL1 (0.42) UCHL1USP30LIPECCNE2IGF1R
SCHEMBL7499026 0.81 KMT2A (0.48) AADAT
SCHEMBL7499021 0.81 KMT2A (0.48) AADAT
SCHEMBL7502333 0.80 LIPE (0.36) LIPEPOLQACHEGPBAR1RXRA
SCHEMBL7501902 0.74 FKBP1A (0.46) AADAT
SCHEMBL7500897 0.73 GHSR (0.39) HSD11B1AADAT
SCHEMBL7500902 0.73 GHSR (0.39) HSD11B1AADAT
SCHEMBL24230531 0.70 UCHL1 (0.46) UCHL1USP30CCNE2IGF1RCCNE1
SCHEMBL7497826 0.67 CYP1A2 (0.44) GPBAR1RXRANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed