SCHEMBL9942492

SCHEMBL9942492

O=C(OCc1ccccc1)N1CCC(F)[C@H](O)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ CYP2C19 P33261 1/20 0.59
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ GRIN2B Q13224 7/20 0.50
▸ HTT P42858 1/20 0.50
▸ CYP2D6 P10635 3/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ PDE4B Q07343 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.47

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
SCHEMBL376457 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL376836 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL15440285 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31448821 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31448741 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30186118 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL24938459 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL9900585 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16903374 0.92 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16903358 0.92 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 — — WO disclosed
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