SCHEMBL9331978

SCHEMBL9331978

CC(CN1CCCCC1)N1c2ccccc2Sc2ccc(C(N)=S)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
HTR2A P28223 2/20 0.39
ADRA1A P35348 2/20 0.39
HRH1 P35367 2/20 0.39
DRD3 P35462 2/20 0.39
HTR2B P41595 2/20 0.39
KCNH2 Q12809 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 3/20 0.38

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
SCHEMBL9759706 1.00 USP2 (0.39) USP2ALDH1A1ALOX15HTR1ADRD2
SCHEMBL9332048 1.00 USP2 (0.39) USP2ALDH1A1ALOX15HTR1ADRD2
SCHEMBL9331883 0.99 USP2 (0.40) USP2ALDH1A1ALOX15HTR1ADRD2
SCHEMBL9331579 0.99 USP2 (0.40) USP2ALDH1A1ALOX15HTR1ADRD2
SCHEMBL9332052 0.89 HDAC3 (0.47) USP2ALDH1A1ALOX15HTR1ADRD2
SCHEMBL9503890 0.89 USP2 (0.39) USP2ALDH1A1ALOX15HTR1ADRD2
Hydrochloric Acid SCHEMBL9758874 0.88 ALDH1A1 (0.39) USP2ALDH1A1ALOX15HTR1ADRD2
Hydrochloric Acid SCHEMBL9758866 0.88 ALDH1A1 (0.39) USP2ALDH1A1ALOX15HTR1ADRD2
Hydrochloric Acid SCHEMBL9759596 0.88 HDAC3 (0.47) USP2ALDH1A1ALOX15HTR1ADRD2
Hydrochloric Acid SCHEMBL9759597 0.88 HDAC3 (0.47) USP2ALDH1A1ALOX15HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5321026-A Antispasmodic agents RHONE-POULENC RORER S.A. (FR) 1994-06-14 US disclosed
US-5049669-A Also diuretics RHONE-POULENC SANTE (FR) 1991-09-17 US disclosed