SCHEMBL8313331

SCHEMBL8313331

CCOC(=O)C(C)(N)c1csc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.39
PKM P14618 1/20 0.39
CYP2A6 P11509 2/20 0.38
MMP8 P22894 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
ALOX5 P09917 1/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37

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 SCHEMBL8312738 0.99 PIN1 (0.38) PIN1PKMCYP2A6MMP8SMN1; SMN2
SCHEMBL9282618 0.83 POLB (0.40) PIN1PKMCYP2A6SMN1; SMN2TP53
SCHEMBL8311679 0.79 PKM (0.45) PKMCYP2A6SMN1; SMN2TP53RXFP1
SCHEMBL4232293 0.74 PKM (0.46) PKMCYP2A6SMN1; SMN2TP53RXFP1
SCHEMBL1455978 0.72 PIN1 (0.51) PIN1MMP8SMN1; SMN2MAPTKMT2A
SCHEMBL27752471 0.72 PIN1 (0.51) PIN1MMP8SMN1; SMN2MAPTKMT2A
SCHEMBL27731921 0.72 PIN1 (0.51) PIN1MMP8SMN1; SMN2MAPTKMT2A
SCHEMBL9494725 0.72 TSHR (0.58) SMN1; SMN2TP53MAPTKMT2AALDH1A1
SCHEMBL10559326 0.71 ALOX5 (0.39) PKMCYP2A6SMN1; SMN2TP53RXFP1
SCHEMBL12262385 0.71 CYP2A6 (0.46) PKMCYP2A6SMN1; SMN2TP53RXFP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP disclosed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US disclosed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 EP disclosed
EP-0386258-A1 TETRAHYDROPYRIDINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-09-12 EP disclosed