SCHEMBL9044447

SCHEMBL9044447

Nc1[c]cccc1-c1cscn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.36
TDO2 P48775 3/20 0.35
METAP2 P50579 3/20 0.34
METAP1 P53582 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
FKBP1A P62942 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL6607926 0.79 METAP1 (0.39) IDO1TDO2METAP2METAP1KDM4E
SCHEMBL16720573 0.79 METAP2 (0.36) IDO1TDO2METAP2METAP1KDM4E
SCHEMBL16720677 0.75 SCN9A (0.35) IDO1TDO2METAP2METAP1HSD17B10
SCHEMBL1800346 0.74 ALDH1A1 (0.46) IDO1TDO2METAP2METAP1HSD17B10
SCHEMBL16720204 0.72 KDM4E (0.38) IDO1TDO2METAP2METAP1HSD17B10
SCHEMBL4518539 0.72 LMNA (0.53) IDO1TDO2METAP2METAP1HSD17B10
Bromide SCHEMBL7959477 0.71 ALDH1A1 (0.43) IDO1TDO2METAP2METAP1HSD17B10
Hydrochloric Acid SCHEMBL6765946 0.71 ALDH1A1 (0.43) IDO1TDO2METAP2METAP1HSD17B10
SCHEMBL999087 0.69 METAP1 (0.40) IDO1TDO2METAP2METAP1HSD17B10
SCHEMBL1868592 0.69 SCN9A (0.40) IDO1TDO2METAP2METAP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372776-B1 Arylpiperidine derivatives PFIZER (US) 1996-09-25 EP claimed
US-5153206-A Neuroleptic agents for treating psychological disorders PFIZER INC. (US) 1992-10-06 US claimed
WO-1990006303-A1 ARYLPIPERIDINE DERIVATIVES PFIZER INC. (US) 1990-06-14 WO claimed
EP-0372776-A2 Arylpiperidine derivatives PFIZER INC. (US) 1990-06-13 EP claimed
JP-2275853-A None JP disclosed
EP-0372776-B1 Arylpiperidine derivatives PFIZER (US) 1996-09-25 EP disclosed
US-5294619-A N-(nitrogen-containing heterocyclylalkyl-phenyl-piperidines PFIZER INC. (US) 1994-03-15 US disclosed
US-5153206-A Neuroleptic agents for treating psychological disorders PFIZER INC. (US) 1992-10-06 US disclosed
JP-H02275853-A ARYLPIPERIDINE DERIVATIVE PFIZER INC 1990-11-09 JP disclosed
WO-1990006303-A1 ARYLPIPERIDINE DERIVATIVES PFIZER INC. (US) 1990-06-14 WO disclosed
EP-0372776-A2 Arylpiperidine derivatives PFIZER INC. (US) 1990-06-13 EP disclosed