SCHEMBL9630105

SCHEMBL9630105

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3cc(F)c(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
S1PR3 Q99500 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL9630110 1.00 TRPV4 (0.32) TRPV4MEN1KMT2ACNR1CNR2
SCHEMBL9631700 0.99 CYP3A4 (0.32) TRPV4MEN1KMT2ACNR1CNR2
SCHEMBL9631034 0.99 CYP3A4 (0.32) TRPV4MEN1KMT2ACNR1CNR2
SCHEMBL9631653 0.99 CYP3A4 (0.32) TRPV4MEN1KMT2ACNR1CNR2
SCHEMBL9631649 0.99 CYP3A4 (0.32) TRPV4MEN1KMT2ACNR1CNR2
SCHEMBL9632193 0.99 CYP3A4 (0.32) TRPV4MEN1KMT2ACNR1CNR2
SCHEMBL9632195 0.99 CYP3A4 (0.32) TRPV4MEN1KMT2ACNR1CNR2
SCHEMBL9630828 0.99 CYP3A4 (0.32) TRPV4MEN1KMT2ACNR1CNR2
SCHEMBL9631696 0.99 CYP3A4 (0.32) TRPV4MEN1KMT2ACNR1CNR2
SCHEMBL9631028 0.99 CYP3A4 (0.32) TRPV4MEN1KMT2ACNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316715-B1 CYCLOHEXANE DERIVATIVES Chisso Corporation (JP) 1992-06-03 EP disclosed
US-4853152-A Cyclohexane derivative CHISSO CORPORATION (JP) 1989-08-01 US disclosed
EP-0316715-A2 Cyclohexane derivatives Chisso Corporation (JP) 1989-05-24 EP disclosed