SCHEMBL30031377

SCHEMBL30031377

Fc1ccc(Br)nc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.45
MAOB P27338 7/20 0.44
IDO1 P14902 2/20 0.44
CNR1 P21554 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SMPD1 P17405 1/20 0.37
HMOX1 P09601 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
SCHEMBL26974528 1.00 MPO (0.45) MPOMAOBIDO1CNR1KMT2A
SCHEMBL26971267 0.84 MGMT (0.44) MPOMAOBIDO1CNR1KMT2A
SCHEMBL30030825 0.84 MGMT (0.44) MPOMAOBIDO1CNR1KMT2A
SCHEMBL26971158 0.83 MAOB (0.41) MAOBIDO1CNR1
SCHEMBL30031439 0.83 MAOB (0.41) MAOBIDO1CNR1
SCHEMBL26639213 0.83 MAOB (0.41) MAOBIDO1CNR1
SCHEMBL26971268 0.82 MAOB (0.42) MPOMAOBCNR1KMT2A
SCHEMBL23286976 0.82 IDO1 (0.51) IDO1
SCHEMBL29737964 0.82 IDO1 (0.51) IDO1
SCHEMBL29687741 0.81 L3MBTL1 (0.45) MPOMAOBCNR1

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-4271672-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
WO-2022225941-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed