SCHEMBL21342014

SCHEMBL21342014

COc1ccc(C2CNC(=O)CC2N)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 14/20 0.53
FPR2 P25090 11/20 0.53
MTNR1A P48039 1/20 0.47
KDM1A O60341 2/20 0.43
KDM1B Q8NB78 2/20 0.43
DPP4 P27487 2/20 0.39

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
SCHEMBL20581283 0.82 FPR2 (0.55) FPR1FPR2KDM1AKDM1B
SCHEMBL18117787 0.81 MTNR1A (0.64) FPR1FPR2MTNR1A
SCHEMBL19559399 0.81 MTNR1A (0.64) FPR1FPR2MTNR1A
SCHEMBL21331949 0.80 FPR1 (0.61) FPR1FPR2
SCHEMBL19985868 0.79 FPR1 (0.57) FPR1FPR2MTNR1A
SCHEMBL19972416 0.79 FPR1 (0.57) FPR1FPR2MTNR1A
SCHEMBL19972418 0.79 FPR1 (0.57) FPR1FPR2MTNR1A
SCHEMBL19972238 0.79 FPR1 (0.57) FPR1FPR2MTNR1A
SCHEMBL19972357 0.78 FPR1 (0.59) FPR1FPR2MTNR1A
SCHEMBL19972289 0.77 FPR1 (0.72) FPR1FPR2

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
WO-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 WO disclosed
WO-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 WO disclosed