SCHEMBL7470703

SCHEMBL7470703

CN(CCc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 2/20 0.43
WDR5 P61964 1/20 0.42
CCR3 P51677 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42

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 SCHEMBL7469631 0.99 LMNA (0.52) LMNAHTTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7470963 0.89 HTT (0.53) LMNAHTTSMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7476496 0.88 HTT (0.52) LMNAHTTSMN1; SMN2ALDH1A1KMT2A
Oxalic Acid SCHEMBL7476051 0.83 MEN1 (0.46) RAB9AALDH1A1KMT2AMEN1CYP2C9
Fumaric Acid SCHEMBL7471795 0.80 HTT (0.59) LMNAHTTSMN1; SMN2NPC1RAB9A
Fumaric Acid SCHEMBL7471789 0.80 HTT (0.59) LMNAHTTSMN1; SMN2NPC1RAB9A
Fumaric Acid SCHEMBL7477079 0.80 RXFP1 (0.49) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
Fumaric Acid SCHEMBL7477072 0.80 RXFP1 (0.49) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7477825 0.79 POLB (0.46) CYP2C9CYP2C19HTR2BMAPK14POLB
SCHEMBL20952542 0.77 SMN1; SMN2 (0.56) LMNAHTTSMN1; SMN2NPC1ALDH1A1

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