SCHEMBL20745387

SCHEMBL20745387

O=C(O)[C@@H]1C[C@@H](F)CN1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.51
MAOB P27338 6/20 0.51
GRM6 O15303 1/20 0.49
AGTR2 P50052 1/20 0.45
S1PR5 Q9H228 2/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.44

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
SCHEMBL20745461 1.00 MAOA (0.51) MAOAMAOBGRM6AGTR2S1PR5
SCHEMBL23243788 1.00 MAOA (0.51) MAOAMAOBGRM6AGTR2S1PR5
SCHEMBL14555989 1.00 MAOA (0.51) MAOAMAOBGRM6AGTR2S1PR5
SCHEMBL16764924 1.00 MAOA (0.51) MAOAMAOBGRM6AGTR2S1PR5
SCHEMBL7067401 0.88 MAOB (0.64) MAOAMAOBGRM6
SCHEMBL28218104 0.88 MAOB (0.64) MAOAMAOBGRM6
Hydrochloric Acid SCHEMBL28218107 0.87 MAOB (0.63) MAOAMAOBGRM6
SCHEMBL16764868 0.85 MAOA (0.47) MAOAMAOBMAPT
SCHEMBL4247443 0.85 MAOA (0.47) MAOAMAOBMAPT
SCHEMBL28431385 0.85 MAOA (0.47) MAOAMAOBMAPT

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-3668863-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-06-24 EP disclosed
WO-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 WO disclosed