SCHEMBL7476032

SCHEMBL7476032

CN(CCc1ccccc1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.62
AKR1C3 P42330 6/20 0.59
GRIN2D O15399 4/20 0.56
GRIN3B O60391 4/20 0.56
GRIN1 Q05586 4/20 0.56
GRIN2A Q12879 4/20 0.56
GRIN2B Q13224 4/20 0.56
GRIN2C Q14957 4/20 0.56
GRIN3A Q8TCU5 4/20 0.56
HRH3 Q9Y5N1 1/20 0.53
RBP4 P02753 1/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL8918938 0.81 PDE3B (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7472433 0.80 HRH4 (0.56) HRH4RBP4
SCHEMBL12803961 0.79 AKR1C3 (0.59) HRH4AKR1C3GRIN2DGRIN3BGRIN1
SCHEMBL4327043 0.79 HRH4 (0.63) HRH4AKR1C3HRH3RBP4POLB
SCHEMBL2195472 0.79 GRIN2D (0.79) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30301395 0.79 GRIN2D (0.79) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8917958 0.79 ALDH1A1 (0.58) POLBSMN1; SMN2
SCHEMBL27544931 0.78 CHIA (0.52) GRIN2BPOLBMEN1KMT2A
SCHEMBL8917647 0.78 MEN1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24104970 0.78 AKR1C3 (0.78) HRH4AKR1C3GRIN2DGRIN3BGRIN1

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