SCHEMBL9760065

SCHEMBL9760065

C[C@H](CN1CCCC1)N1c2ccccc2Sc2ccc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.47
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
HTR1A P08908 3/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
HTR2A P28223 3/20 0.43
DRD3 P35462 3/20 0.43
HTR2B P41595 3/20 0.43
DRD2 P14416 2/20 0.43
ADRA1A P35348 2/20 0.43
KCNH2 Q12809 2/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
HTR2C P28335 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL9760059 1.00 HRH1 (0.47) HRH1USP2ALDH1A1ALOX15HTR1A
Hydrochloric Acid SCHEMBL9331419 0.99 HRH1 (0.46) HRH1USP2ALDH1A1ALOX15HTR1A
Hydrochloric Acid SCHEMBL9331415 0.99 HRH1 (0.46) HRH1USP2ALDH1A1ALOX15HTR1A
SCHEMBL9332052 0.90 HDAC3 (0.47) HRH1USP2ALDH1A1ALOX15HTR1A
Hydrochloric Acid SCHEMBL9759597 0.89 HDAC3 (0.47) HRH1USP2ALDH1A1ALOX15HTR1A
Hydrochloric Acid SCHEMBL9759596 0.89 HDAC3 (0.47) HRH1USP2ALDH1A1ALOX15HTR1A
Hydrochloric Acid SCHEMBL9759754 0.89 ALDH1A1 (0.44) HRH1USP2ALDH1A1ALOX15HTR1A
Hydrochloric Acid SCHEMBL9759752 0.89 ALDH1A1 (0.44) HRH1USP2ALDH1A1ALOX15HTR1A
SCHEMBL9759807 0.88 NOX1 (0.47) USP2ALDH1A1ALOX15MAPTLMNA
SCHEMBL9759811 0.88 NOX1 (0.47) USP2ALDH1A1ALOX15MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed