SCHEMBL7465996

SCHEMBL7465996

[CH2]COc1ccccc1NC(=O)CC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
CYP2C19 P33261 1/20 0.56
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.50
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
USP2 O75604 1/20 0.48
BRD4 O60885 1/20 0.48

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
SCHEMBL5188518 0.87 GAA (0.81) GAACYP2C19TSHRSMN1; SMN2ALDH1A1
SCHEMBL5189031 0.84 NPC1 (0.65) GAACYP2C19TSHRSMN1; SMN2ALDH1A1
SCHEMBL13652613 0.83 GAA (0.60) GAACYP2C19TSHRSMN1; SMN2ALDH1A1
SCHEMBL4780753 0.81 SMN1; SMN2 (0.72) GAATSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL13652590 0.81 BRD4 (0.73) GAACYP2C19TSHRSMN1; SMN2ALDH1A1
SCHEMBL11632531 0.80 GAA (0.57) GAACYP2C19TSHRSMN1; SMN2ALDH1A1
SCHEMBL13652639 0.79 GAA (0.56) GAACYP2C19TSHRSMN1; SMN2KMT2A
SCHEMBL21771948 0.79 GAA (0.55) GAACYP2C19TSHRSMN1; SMN2ALDH1A1
SCHEMBL8619629 0.78 MAPK1 (0.60) GAATSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9312776 0.78 GAA (0.84) GAACYP2C19TSHRSMN1; SMN2ALDH1A1

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
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
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