SCHEMBL7470992

SCHEMBL7470992

CCCC(=O)N[C]1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
TDP2 O95551 1/20 0.48
PAX8 Q06710 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
TLR9 Q9NR96 1/20 0.48
MAPK1 P28482 1/20 0.47
GAA P10253 2/20 0.47
PTPRC P08575 2/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL9888 0.69 ALDH1A1 (0.86) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL26646514 0.68 SOAT1 (0.78) NPC1RAB9AALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL23062930 0.67 ALDH1A1 (0.83) NPC1RAB9AALDH1A1KMT2AMEN1
Iodide SCHEMBL7927461 0.67 ALDH1A1 (0.83) NPC1RAB9AALDH1A1KMT2AMEN1
Fluoride SCHEMBL27839088 0.67 ALDH1A1 (0.83) NPC1RAB9AALDH1A1KMT2AMEN1
Bromide SCHEMBL28587932 0.67 ALDH1A1 (0.83) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL11658250 0.67 ALDH1A1 (0.83) NPC1RAB9AALDH1A1KMT2AMEN1
Butyramide SCHEMBL5504220 0.67 MTNR1A (0.47) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL5281332 0.67 SMN1; SMN2 (0.49) NPC1RAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL9510413 0.67 TERT (0.73) ALDH1A1KMT2AMEN1MAPK1GAA

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 6 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
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 CN disclosed