SCHEMBL7464765

SCHEMBL7464765

CSc1ccc(CCN(C)C2CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
CHIA Q9BZP6 9/20 0.39
CHIT1 Q13231 8/20 0.39
SLC6A4 P31645 6/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 3/20 0.38
CHI3L1 P36222 1/20 0.38
CHI3L2 Q15782 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 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
SCHEMBL1966706 0.89 CHIT1 (0.44) GRIN2BCHIACHIT1SLC6A4SLC6A2
SCHEMBL16825796 0.82 CHIA (0.53) GRIN2BCHIACHIT1SLC6A4SLC6A2
SCHEMBL3581153 0.81 GRIN2B (0.56) GRIN2BCHIASLC6A4SLC6A2SLC6A3
SCHEMBL5650537 0.79 GRIN2B (0.41) GRIN2BCHIACHIT1SLC6A4SLC6A2
SCHEMBL3041474 0.76 GRIN2B (0.45) GRIN2BCHIASLC6A4SLC6A2SLC6A3
SCHEMBL23580210 0.73 TACR1 (0.54) GRIN2BSLC6A4SLC6A2SLC6A3
SCHEMBL31016704 0.73 SLC6A4 (0.55) GRIN2BCHIASLC6A4SLC6A2SLC6A3
SCHEMBL29913509 0.73 SLC6A4 (0.55) GRIN2BCHIASLC6A4SLC6A2SLC6A3
SCHEMBL27544721 0.73 GRIN2B (0.58) GRIN2BSLC6A4SLC6A2SLC6A3
SCHEMBL7473318 0.72 MCHR1 (0.47)

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