SCHEMBL21331979

SCHEMBL21331979

COc1ccc(C2CNC(=O)CC2=NO)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 13/20 0.46
FPR2 P25090 10/20 0.46
MTNR1A P48039 1/20 0.40
CPS1 P31327 3/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
APP P05067 1/20 0.35
MAPT P10636 1/20 0.35
SNCA P37840 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL21331977 1.00 FPR1 (0.46) FPR1FPR2MTNR1ACPS1MEN1
SCHEMBL21332359 0.84 FPR1 (0.41) FPR1FPR2
SCHEMBL21332358 0.84 FPR1 (0.41) FPR1FPR2
SCHEMBL21331966 0.79 DDB1 (0.47) FPR1FPR2ALDH1A1KMT2A
SCHEMBL21331968 0.79 DDB1 (0.47) FPR1FPR2ALDH1A1KMT2A
SCHEMBL18117787 0.74 MTNR1A (0.64) FPR1FPR2MTNR1AALDH1A1MAPT
SCHEMBL19559399 0.74 MTNR1A (0.64) FPR1FPR2MTNR1AALDH1A1MAPT
SCHEMBL21342012 0.72 MTNR1A (0.49) FPR1FPR2MTNR1A
SCHEMBL21342014 0.70 FPR1 (0.53) FPR1FPR2MTNR1A
SCHEMBL19972418 0.70 FPR1 (0.57) FPR1FPR2MTNR1A

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