SCHEMBL8453501

SCHEMBL8453501

C[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3cc(F)c(CCc4ccc(Cl)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.34
OPRL1 P41146 10/20 0.32
FPR2 P25090 2/20 0.32
CCR3 P51677 1/20 0.31
KCNH2 Q12809 1/20 0.30
ESR2 Q92731 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
SCHEMBL8453510 1.00 PROKR1 (0.34) PROKR1OPRL1FPR2CCR3KCNH2
SCHEMBL8453506 1.00 PROKR1 (0.34) PROKR1OPRL1FPR2CCR3KCNH2
SCHEMBL8451935 0.91 CYP2C9 (0.36) PROKR1OPRL1FPR2CCR3KCNH2
SCHEMBL8453481 0.91 PROKR1 (0.34) PROKR1OPRL1FPR2CCR3KCNH2
SCHEMBL8453488 0.91 PROKR1 (0.34) PROKR1OPRL1FPR2CCR3KCNH2
SCHEMBL8453484 0.91 PROKR1 (0.34) PROKR1OPRL1FPR2CCR3KCNH2
SCHEMBL8451939 0.91 CYP2C9 (0.36) PROKR1OPRL1FPR2CCR3KCNH2
SCHEMBL8451942 0.91 CYP2C9 (0.36) PROKR1OPRL1FPR2CCR3KCNH2
SCHEMBL8447733 0.89 ESR2 (0.38) PROKR1OPRL1FPR2ESR2
SCHEMBL8447726 0.89 ESR2 (0.38) PROKR1OPRL1FPR2ESR2

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-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0785179-A1 CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1997-07-23 EP disclosed