SCHEMBL7844504

SCHEMBL7844504

[CH2]CC(CCC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.48
HTR2A P28223 7/20 0.45
TAAR1 Q96RJ0 1/20 0.41
KCNH2 Q12809 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
SMPD1 P17405 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
CASR P41180 1/20 0.39

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
SCHEMBL9377632 0.84 TBXAS1 (0.51) KCNH2SLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL9126415 0.84 HRH1 (0.39) HRH1HTR2ATAAR1CYP2D6CYP1A2
SCHEMBL3031215 0.83 TAAR1 (0.43) HRH1HTR2ATAAR1CYP3A4CYP2D6
SCHEMBL9379668 0.80 SLC6A2 (0.56) HRH1HTR2AKCNH2CYP3A4CYP2D6
SCHEMBL8394709 0.80 TRPA1 (0.46) HRH1HTR2ATAAR1CYP2D6LMNA
SCHEMBL536776 0.80 AOC3 (0.43) HRH1HTR2ATAAR1OPRM1LMNA
SCHEMBL7162278 0.80 HRH1 (0.37) HRH1HTR2ATAAR1CYP2D6CYP1A2
SCHEMBL3290730 0.80 HRH1 (0.68) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL205557 0.78 CYP19A1 (0.49) HTR2ATAAR1KCNH2CYP3A4CYP2D6
SCHEMBL2732016 0.77 HRH1 (0.65) HRH1HTR2ATAAR1KCNH2CYP3A4

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-1083874-A1 SMALL MOLECULE PIPECOLIC ACID DERIVATIVE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-21 EP disclosed
WO-1999062491-A1 SMALL MOLECULE PIPECOLIC ACID DERIVATIVE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO disclosed