SCHEMBL18874210

SCHEMBL18874210

O=C(O)C1(Nc2ccc(C(F)(F)F)c(OCCc3cc(Cl)ccc3Cl)c2)Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPI P34949 1/20 0.41
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 1/20 0.40
▸ F10 P00742 1/20 0.38
▸ LPAR1 Q92633 1/20 0.38
▸ UTS2R Q9UKP6 1/20 0.35
▸ CXCR5 P32302 1/20 0.35
▸ TRPV1 Q8NER1 3/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ GRM4 Q14833 1/20 0.34

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
SCHEMBL1561362 0.86 LPAR1 (0.51) MPIF10LPAR1CXCR5
SCHEMBL18874328 0.80 CXCR5 (0.47) CXCR5TRPV1
SCHEMBL18874410 0.80 LPAR1 (0.55) LPAR1CXCR5TRPV1
SCHEMBL18874194 0.80 LPAR1 (0.60) MPIF10LPAR1GRM4
SCHEMBL1560554 0.73 LPAR1 (0.60) MPIF10LPAR1CXCR5TRPV1
SCHEMBL18874315 0.72 LMNA (0.42) LPAR1CXCR5
SCHEMBL1561391 0.70 LPAR1 (0.56) F10LPAR1CXCR5
SCHEMBL18874199 0.67 LPAR1 (0.57) LPAR1CXCR5
SCHEMBL18874159 0.67 LPAR1 (0.57) LPAR1CXCR5
SCHEMBL6066448 0.67 F10 (0.56) F10TRPV1

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
EP-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 — — EP disclosed
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