SCHEMBL9763594

SCHEMBL9763594

C[C@H]1CC[C@H](CCc2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
GPR84 Q9NQS5 1/20 0.40
MAOB P27338 4/20 0.36
SIGMAR1 Q99720 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAOA P21397 1/20 0.33
CTSC P53634 1/20 0.33
F10 P00742 1/20 0.33
RARB P10826 2/20 0.33
ANPEP P15144 1/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL9763604 1.00 HRH3 (0.45) HRH3GPR84MAOBSIGMAR1CNR1
SCHEMBL20805120 0.96 HRH3 (0.42) HRH3GPR84MAOBSIGMAR1CNR1
SCHEMBL8814984 0.88 GPR84 (0.40) HRH3GPR84MAOBSLC6A2SLC6A4
SCHEMBL9504609 0.88 GPR84 (0.40) HRH3GPR84MAOBSLC6A2SLC6A4
SCHEMBL8027622 0.88 GPR84 (0.40) HRH3GPR84MAOBSLC6A2SLC6A4
SCHEMBL9504614 0.88 GPR84 (0.40) HRH3GPR84MAOBSLC6A2SLC6A4
SCHEMBL8027617 0.88 GPR84 (0.40) HRH3GPR84MAOBSLC6A2SLC6A4
SCHEMBL21592063 0.88 HRH3 (0.42) HRH3GPR84MAOBSLC6A2SLC6A4
SCHEMBL18503377 0.86 HRH3 (0.40) HRH3GPR84MAOBSLC6A2SLC6A4
SCHEMBL8025668 0.86 RARB (0.42) HRH3GPR84MAOBMAOARARB

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
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed
EP-0387032-A1 Trifluorobenzene derivatives and liquid crystal compositions containing the same Chisso Corporation (JP) 1990-09-12 EP disclosed