SCHEMBL7467210

SCHEMBL7467210

CCSc1cccnc1[C]=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.38
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
ALDH1A1 P00352 10/20 0.36
KDM4E B2RXH2 7/20 0.35
HPGD P15428 6/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
CLK1 P49759 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL7471827 0.82 PTGS2 (0.43) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL7365422 0.82 HPGD (0.40) HSD17B10GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL946861 0.79 L3MBTL1 (0.46) HSD17B10ALDH1A1KDM4EHPGDHTT
SCHEMBL6507278 0.73 GABRA1 (0.39) ALDH1A1KDM4ELMNANPSR1MAPT
SCHEMBL17811972 0.73 KDM4E (0.39) HSD17B10GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL10834448 0.73 ALDH1A1 (0.45) HSD17B10GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL20994333 0.72 TRIM24 (0.38) HSD17B10GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL18680681 0.72 L3MBTL1 (0.39) HSD17B10GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL9038419 0.72 ADRA2A (0.38) HSD17B10GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL18392496 0.72 ALDH1A1 (0.42) HSD17B10GABRG2GABRB3GABRA5ALDH1A1

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 7 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
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