SCHEMBL7760233

SCHEMBL7760233

CCC[CH]CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.50
HTR2A P28223 7/20 0.50
SIGMAR1 Q99720 1/20 0.44
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 3/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
SMPD1 P17405 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL17183641 0.82 AOC3 (0.39) HRH1HTR2ASIGMAR1CYP3A4CYP1A2
SCHEMBL17183681 0.82 LMNA (0.39) HRH1HTR2ASIGMAR1CYP3A4CYP1A2
SCHEMBL7844501 0.78 KCNH2 (0.52) HRH1HTR2ASIGMAR1HTR1AADORA3
SCHEMBL17183683 0.77 RIPK1 (0.46) CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL107889 0.77 HRH1 (0.56) HRH1HTR2ASIGMAR1CYP3A4CYP1A2
SCHEMBL17183749 0.76 NR1I2 (0.39) HRH1HTR2ASIGMAR1CYP3A4CYP1A2
SCHEMBL17183687 0.76 RIPK1 (0.44) SIGMAR1CYP3A4CYP1A2CYP2D6CYP2C19
Ammonia Solution, Strong SCHEMBL5724927 0.75 HRH1 (0.54) HRH1HTR2ASIGMAR1CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL6521685 0.75 HRH1 (0.54) HRH1HTR2ASIGMAR1CYP3A4CYP1A2
SCHEMBL28229621 0.75 HRH1 (0.54) HRH1HTR2ASIGMAR1CYP3A4CYP1A2

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
EP-1083876-A1 SMALL MOLECULE SULFONAMIDE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-21 EP disclosed
WO-1999062490-A1 SMALL MOLECULE SULFONAMIDE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO disclosed