SCHEMBL21496353

SCHEMBL21496353

CC(C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3ccc4ccccc4c3)(C1)C2

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 15/20 0.76
▸ POLB P06746 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ENPP3 O14638 1/20 0.47
▸ ENPP1 P22413 1/20 0.47
▸ TP53 P04637 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL21496351 1.00 IDO1 (0.76) IDO1POLBLMNASMN1; SMN2MAPT
SCHEMBL21496467 0.86 IDO1 (0.68) IDO1
SCHEMBL24118615 0.86 IDO1 (0.68) IDO1
SCHEMBL21496468 0.86 IDO1 (0.68) IDO1
SCHEMBL24118078 0.86 IDO1 (1.00) IDO1
SCHEMBL24117963 0.86 IDO1 (1.00) IDO1
SCHEMBL30055982 0.85 IDO1 (0.85) IDO1MAPT
SCHEMBL24118294 0.84 IDO1 (0.86) IDO1MAPTNPC1RAB9A
SCHEMBL24118239 0.84 IDO1 (0.84) IDO1SMN1; SMN2MAPTTP53
SCHEMBL21504017 0.84 IDO1 (0.84) IDO1SMN1; SMN2MAPTTP53

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-3781142-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp&Dohme Corp. (US) 2021-02-24 — — EP claimed
WO-2019204180-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-10-24 — — WO claimed
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