SCHEMBL7844501

SCHEMBL7844501

[CH](CCc1ccccc1)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.52
SIGMAR1 Q99720 2/20 0.47
HRH1 P35367 7/20 0.43
HTR2A P28223 6/20 0.41
ACP3 P15309 1/20 0.41
CNR1 P21554 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MC4R P32245 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL9377628 0.86 EPHX2 (0.48) KCNH2SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL205556 0.82 ALDH1A1 (0.52) SIGMAR1HTR2AALDH1A1HPGDALOX15
SCHEMBL9379664 0.82 SLC6A2 (0.52) KCNH2SIGMAR1HRH1HTR2ASLC6A2
SCHEMBL18321215 0.82 KCNH2 (0.44) KCNH2SIGMAR1HTR2AACP3SLC6A2
SCHEMBL6497060 0.78 KCNH2 (0.63) KCNH2SIGMAR1HRH1HTR2AACP3
SCHEMBL7760233 0.78 HRH1 (0.50) KCNH2SIGMAR1HRH1HTR2ASLC6A2
SCHEMBL9128295 0.74 SIGMAR1 (0.38) KCNH2SIGMAR1HTR2AACP3SLC6A2
SCHEMBL364434 0.74 SIGMAR1 (0.48) SIGMAR1HTR2ASLC6A3ADRA1AALDH1A1
SCHEMBL9132974 0.74 KCNH2 (0.66) KCNH2SIGMAR1HRH1HTR2ASLC6A2
SCHEMBL5834700 0.73 GRIK1 (0.41) KCNH2HTR2A

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