SCHEMBL20177625

SCHEMBL20177625

COc1cc(F)c([C@@H]2Cn3cnnc3[C@H]2N)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.33
FPR2 P25090 14/20 0.32
FPR1 P21462 10/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KDM1A O60341 1/20 0.32
F2 P00734 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL20177936 0.83 KDM1A (0.32) KDM1A
SCHEMBL20177826 0.80 FPR2 (0.36) FPR2FPR1KDM1A
SCHEMBL18264318 0.78 FPR2 (0.34) FPR2FPR1TAAR1KDM1A
SCHEMBL18264320 0.78 FPR2 (0.34) FPR2FPR1TAAR1KDM1A
SCHEMBL20177493 0.71 ADRA1A (0.36) FPR2FPR1TAAR1
SCHEMBL20177491 0.71 CCKBR (0.47) FPR2FPR1
SCHEMBL18579334 0.70 FPR1 (0.39) FPR2FPR1TAAR1
SCHEMBL18579332 0.70 FPR1 (0.39) FPR2FPR1TAAR1
SCHEMBL20177583 0.70 FPR1 (0.41) FPR2FPR1MAPTKMT2A
SCHEMBL20177487 0.67 FPR2 (0.58) FPR2FPR1TAAR1KDM1A

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-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed