SCHEMBL20177644

SCHEMBL20177644

O=C(O)[C@@H]1C(=O)NC[C@H]1c1ccc(Br)cc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
KDM1B Q8NB78 1/20 0.47
F2RL1 P55085 5/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
FPR2 P25090 4/20 0.40
FPR1 P21462 3/20 0.40
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DGAT1 O75907 1/20 0.36
QPCT Q16769 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
SCHEMBL20177873 0.85 FPR2 (0.44) KDM1AKDM1BF2RL1HTR2AHRH1
SCHEMBL20177703 0.84 FPR2 (0.56) HTR2AFPR2FPR1
SCHEMBL20177819 0.82 FPR2 (0.45) F2RL1HTR2AHRH1FPR2FPR1
SCHEMBL16785453 0.81 FPR2 (0.58) FPR2FPR1
SCHEMBL29434429 0.81 FPR2 (0.58) FPR2FPR1
SCHEMBL18579681 0.81 FPR2 (0.58) FPR2FPR1
SCHEMBL19996023 0.79 FPR2 (0.37) F2RL1HTR2AHRH1FPR2FPR1
SCHEMBL20177486 0.77 F2RL1 (0.54) KDM1AKDM1BF2RL1HTR2AHRH1
SCHEMBL20177580 0.77 KDM1A (0.45) KDM1AKDM1BFPR2FPR1
SCHEMBL16785361 0.76 LMNA (0.36) F2RL1FPR2FPR1MEN1KMT2A

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