SCHEMBL7464862

SCHEMBL7464862

Cc1ccc(-c2ccc(C(=O)N3CCC(N(C)CCc4ccccc4)CC3)cc2OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KDM1A O60341 2/20 0.41
CYP46A1 Q9Y6A2 2/20 0.40
MCHR1 Q99705 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
FFAR2 O15552 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 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
Hydrochloric Acid SCHEMBL7466242 0.87 KDM1A (0.43) KDM1ACYP46A1MCHR1HRH3L3MBTL1
Hydrochloric Acid SCHEMBL7474384 0.83 MGLL (0.42) MCHR1HRH3MGLL
SCHEMBL7475530 0.82 POLB (0.43) KDM1AMCHR1MEN1KMT2A
SCHEMBL7464676 0.81 CHIA (0.42) KDM1AMCHR1HRH3MGLL
SCHEMBL7466231 0.79 L3MBTL3 (0.50) MCHR1MEN1KMT2A
Oxalic Acid SCHEMBL7478101 0.79 MEN1 (0.63) L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL7467854 0.78 KDM1A (0.44) KDM1AMCHR1MGLL
SCHEMBL9200832 0.78 CYP11B1 (0.41) CYP11B1CYP11B2MCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL9203459 0.78 CHIA (0.43) HRH3L3MBTL1
Hydrochloric Acid SCHEMBL9211068 0.77 ROCK2 (0.45) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed