SCHEMBL7548757

SCHEMBL7548757

O=C(NCc1ccc(Cl)cc1)C1CCCCN1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.71
HTR2B P41595 3/20 0.68
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
EPHX1 P07099 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL7546748 0.96 HTR2C (0.77) HTR2CHTR2BKDM4ENPC1RAB9A
SCHEMBL15126141 0.96 HTR2C (0.77) HTR2CHTR2BKDM4ENPC1RAB9A
SCHEMBL22221105 0.86 HTR2C (0.68) HTR2CHTR2BKDM4ERAB9AHDAC1
SCHEMBL9469301 0.86 HTR2C (0.71) HTR2CHTR2BKDM4ENPC1RAB9A
SCHEMBL9469302 0.86 HTR2C (0.71) HTR2CHTR2BKDM4ENPC1RAB9A
SCHEMBL30604550 0.85 HTR2C (0.81) HTR2CHTR2BKDM4ENPC1RAB9A
SCHEMBL24653102 0.85 HTR2C (0.70) HTR2CHTR2BKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL18337653 0.84 HTR2C (0.70) HTR2CHTR2BKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL18337654 0.84 HTR2C (0.70) HTR2CHTR2BKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL3267987 0.84 HTR2C (0.70) HTR2CHTR2BKDM4ENPC1RAB9A

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