SCHEMBL9230675

SCHEMBL9230675

COc1ccccc1C(CCNC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 14/20 0.53
▸ MEN1 O00255 13/20 0.53
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ HTT P42858 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ MITF O75030 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ GAA P10253 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ ALOX12 P18054 1/20 0.40

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
SCHEMBL9227320 0.92 MEN1 (0.54) KMT2AMEN1OPRM1OPRD1HTT
SCHEMBL9226204 0.87 MEN1 (0.48) KMT2AMEN1OPRM1OPRD1HTT
SCHEMBL9228696 0.80 KMT2A (0.45) KMT2AMEN1OPRM1OPRD1HTT
SCHEMBL9756347 0.79 KMT2A (0.43) KMT2AMEN1OPRM1OPRD1HTT
SCHEMBL9223141 0.79 KMT2A (0.51) KMT2AMEN1OPRM1OPRD1HTT
SCHEMBL9756351 0.79 KMT2A (0.43) KMT2AMEN1OPRM1OPRD1HTT
SCHEMBL9227988 0.79 GAA (0.47) KMT2AMEN1OPRD1HTTLMNA
SCHEMBL9228200 0.78 LMNA (0.51) KMT2AMEN1OPRM1OPRD1HTT
SCHEMBL9227466 0.77 HTR1A (0.44) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL9226348 0.76 LMNA (0.44) KMT2AMEN1HTTLMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382600-A 3,3-diphenylpropylamines and pharmaceutical compositions thereof PHARMACIA AKTIEBOLAG (SE) 1995-01-17 — — US disclosed
EP-0325571-B1 NEW AMINES, THEIR USE AND PREPARATION Kabi Pharmacia AB (SE) 1991-08-07 — — EP disclosed
EP-0354234-A1 NEW AMINES, THEIR USE AND PREPARATION KabiVitrum AB (SE) 1990-02-14 — — EP disclosed
WO-1989006644-A1 NEW AMINES, THEIR USE AND PREPARATION KABIVITRUM AB (SE) 1989-07-27 — — WO disclosed
EP-0325571-A1 New amines, their use and preparation Kabi Pharmacia AB (SE) 1989-07-26 — — EP disclosed
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