SCHEMBL8154704

SCHEMBL8154704

CCC[C@H]1CC[C@H](COc2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.52
KDM1A O60341 2/20 0.45
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
PARP10 Q53GL7 3/20 0.42
PARP15 Q460N3 2/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SCN9A Q15858 1/20 0.41
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
PDK2 Q15119 1/20 0.38

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
SCHEMBL8154702 1.00 TRPV4 (0.52) TRPV4KDM1ACYP11B1CYP11B2PARP10
SCHEMBL8147234 0.92 TRPV4 (0.50) TRPV4KDM1ACYP11B1CYP11B2PARP10
SCHEMBL8147235 0.92 TRPV4 (0.50) TRPV4KDM1ACYP11B1CYP11B2PARP10
SCHEMBL8155469 0.91 TRPV4 (0.49) TRPV4KDM1ACYP11B1CYP11B2PARP10
SCHEMBL8155466 0.91 TRPV4 (0.49) TRPV4KDM1ACYP11B1CYP11B2PARP10
SCHEMBL8161250 0.90 TRPV4 (0.48) TRPV4KDM1ACYP11B1CYP11B2PARP10
SCHEMBL8153485 0.90 TRPV4 (0.48) TRPV4KDM1ACYP11B1CYP11B2PARP10
SCHEMBL8161251 0.90 TRPV4 (0.48) TRPV4KDM1ACYP11B1CYP11B2PARP10
SCHEMBL8153776 0.90 TRPV4 (0.48) TRPV4KDM1ACYP11B1CYP11B2PARP10
SCHEMBL8153483 0.90 TRPV4 (0.48) TRPV4KDM1ACYP11B1CYP11B2PARP10

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-RE36849-E 2-(4-(ALK(EN)YL, ALKOXY, ALKANOYL)-4'-BICYCLOHEXYL)-1-(2,3-(HALO OR NITRILE),4-HALOPHENYL)ETHANE COMPOUNDS; ELECTROOPTICAL DISPLAY WITH MULTIPLEX OPERATION COMPRISING A LIQUID CRYSTAL MIXTURE AS DIELECTRIC MERCK PATENT GMBH (DE) 2000-09-05 US disclosed
US-4710315-A USE WITH MULTIPLEXIBLE DISPLAYS HAVING HIGH DENSITY IMAGES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-12-01 US disclosed