SCHEMBL19994158

SCHEMBL19994158

COc1cc(F)c(C2CC(=O)N(CC3CC3)CC2N)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 5/20 0.57
DPP4 P27487 14/20 0.44
FPR2 P25090 1/20 0.43
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL19985880 1.00 FPR1 (0.57) FPR1DPP4FPR2HCRTR1HCRTR2
SCHEMBL19972224 1.00 FPR1 (0.57) FPR1DPP4FPR2HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL19972420 0.99 FPR1 (0.56) FPR1DPP4FPR2HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL19972422 0.99 FPR1 (0.56) FPR1DPP4FPR2HCRTR1HCRTR2
SCHEMBL23654002 0.83 FPR1 (0.53) FPR1DPP4FPR2HCRTR1HCRTR2
SCHEMBL20581636 0.81 FPR1 (0.50) FPR1FPR2HCRTR1HCRTR2
SCHEMBL19972299 0.81 FPR1 (0.71) FPR1FPR2
SCHEMBL19985879 0.80 FPR1 (0.56) FPR1DPP4
Hydrochloric Acid SCHEMBL19972295 0.79 FPR1 (0.55) FPR1DPP4
Hydrochloric Acid SCHEMBL19972298 0.79 FPR1 (0.55) FPR1DPP4

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
EP-3515902-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-07-31 EP disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed