SCHEMBL7319301

SCHEMBL7319301

O=C(Cl)C1CC1c1cc(Cl)c(C2CCCCC2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
KMO O15229 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
SLC9A1 P19634 2/20 0.31
MAPK1 P28482 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL7313183 0.89 FFAR1 (0.41) HPGDSIGMAR1KMOHRH3ACMSD
Hydrochloric Acid SCHEMBL7319313 0.88 FFAR1 (0.40) HPGDSIGMAR1KMOHRH3ACMSD
SCHEMBL7315840 0.81 CEL (0.38) SIGMAR1KMOCYP2D6SLC6A2SLC6A4
SCHEMBL7324554 0.78 TSHR (0.40) NPC1RAB9A
SCHEMBL7317851 0.77 HDAC8 (0.46) HPGDSIGMAR1KMOSMN1; SMN2HRH3
SCHEMBL8579966 0.74 SLC6A2 (0.41) KMOCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7346168 0.71 OPRL1 (0.38) SIGMAR1KMOACMSDSLC9A1
SCHEMBL7312887 0.71 FFAR1 (0.44) HPGDKMOACMSDSLC9A1FFAR1
Hydrochloric Acid SCHEMBL7315858 0.70 FFAR1 (0.43) HPGDKMOACMSDFFAR1
SCHEMBL7319310 0.69 PTGDR2 (0.34) NPC1RAB9AKMOSMN1; SMN2CYP2D6

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-6235791-B1 USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE SANOFI-SYNTHELABO (FR) 2001-05-22 US disclosed