SCHEMBL5209716

SCHEMBL5209716

Cc1ccc(-c2ccc3c(c2)C(=O)CCCC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.57
MAOB P27338 7/20 0.57
HSD17B1 P14061 3/20 0.49
BRD4 O60885 2/20 0.46
CYP2A6 P11509 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PABPC1 P11940 1/20 0.42
TSHR P16473 1/20 0.42
PBRM1 Q86U86 1/20 0.41
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
FYN P06241 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PRKCI P41743 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL5204318 0.97 MAOA (0.57) MAOAMAOBHSD17B1BRD4CYP2A6
SCHEMBL5208267 0.89 BRD4 (0.55) MAOAMAOBHSD17B1BRD4MEN1
SCHEMBL10177012 0.85 MAOA (0.59) MAOAMAOBCYP2A6MEN1KMT2A
SCHEMBL8170785 0.83 HSD17B1 (0.71) MAOAMAOBHSD17B1BRD4CYP2A6
SCHEMBL29673118 0.82 MAOA (0.59) MAOAMAOBHSD17B1CYP2A6MEN1
SCHEMBL1274936 0.82 MAOA (0.59) MAOAMAOBHSD17B1CYP2A6MEN1
SCHEMBL5211178 0.81 MAOA (0.58) MAOAMAOBHSD17B1CYP2A6MEN1
SCHEMBL29395799 0.81 MAOA (0.58) MAOAMAOBHSD17B1CYP2A6MEN1
SCHEMBL5211345 0.79 HSD17B1 (0.53) MAOAMAOBHSD17B1BRD4CYP2A6
SCHEMBL27537651 0.79 HSD17B1 (0.49) MAOAMAOBHSD17B1CYP2A6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6376536-B1 VIRICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
US-6096780-A ANTIVIRAL COMPOUND USEFUL FOR TREATING HIV VIRUSES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-01 US disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed