SCHEMBL9503890

SCHEMBL9503890

CC(CN1CCCC1)N1c2ccccc2Sc2ccc(C(=N)N)cc21

nearest known ligand 0.39

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 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
HTR2A P28223 3/20 0.39
HRH1 P35367 3/20 0.39
DRD3 P35462 3/20 0.39
HTR2B P41595 3/20 0.39
DRD2 P14416 2/20 0.39
ADRA1A P35348 2/20 0.39
KCNH2 Q12809 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
HTR2C P28335 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
PTGS2 P35354 2/20 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
Hydrochloric Acid SCHEMBL9758866 0.99 ALDH1A1 (0.39) USP2ALDH1A1ALOX15HTR1AADRA2B
Hydrochloric Acid SCHEMBL9758874 0.99 ALDH1A1 (0.39) USP2ALDH1A1ALOX15HTR1AADRA2B
Hydrochloric Acid SCHEMBL10385724 0.98 ALDH1A1 (0.38) USP2ALDH1A1ALOX15HTR1AADRA2B
SCHEMBL9331579 0.90 USP2 (0.40) USP2ALDH1A1ALOX15HTR1AADRA2B
SCHEMBL9331883 0.90 USP2 (0.40) USP2ALDH1A1ALOX15HTR1AADRA2B
SCHEMBL9332052 0.89 HDAC3 (0.47) USP2ALDH1A1ALOX15HTR1AADRA2B
SCHEMBL9759706 0.89 USP2 (0.39) USP2ALDH1A1ALOX15HTR1AADRA2B
SCHEMBL9332048 0.89 USP2 (0.39) USP2ALDH1A1ALOX15HTR1AADRA2B
SCHEMBL9331978 0.89 USP2 (0.39) USP2ALDH1A1ALOX15HTR1AADRA2B
SCHEMBL9506041 0.88 ALDH1A1 (0.42) USP2ALDH1A1ALOX15HTR1AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346240-B1 PHENOTHIAZINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC SANTE (FR) 1993-06-02 EP claimed
US-4912105-A Derivatives of phenothiazine and the compositions which contain them RHONE-POULENC SANTE (FR) 1990-03-27 US claimed
JP-2032071-A None JP disclosed
US-4912105-A Derivatives of phenothiazine and the compositions which contain them RHONE-POULENC SANTE (FR) 1990-03-27 US disclosed
JP-H0232071-A NEW DERIVATIVES OF PHENOTHIAZINE, THEIR PRODUCTION AND COMPOSITION CONTAINING THE SAME RHONE POULENC SANTE 1990-02-01 JP disclosed