SCHEMBL8526512

SCHEMBL8526512

CC[C@H](C)NC(=O)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.87
ALDH1A1 P00352 2/20 0.87
HPGD P15428 2/20 0.65
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
NPC1 O15118 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
HTT P42858 1/20 0.60
NAMPT P43490 2/20 0.56
PRSS1 P07477 1/20 0.54
CTSG P08311 1/20 0.54
CTRB1 P17538 1/20 0.54
CMA1 P23946 1/20 0.54
MAPK1 P28482 1/20 0.53
HSP90AA1 P07900 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL8507346 1.00 RAB9A (0.87) RAB9AALDH1A1HPGDKMT2AMEN1
SCHEMBL799431 1.00 RAB9A (0.87) RAB9AALDH1A1HPGDKMT2AMEN1
SCHEMBL29137460 0.86 RAB9A (0.67) RAB9AALDH1A1HPGDKMT2AMEN1
SCHEMBL1003282 0.85 RAB9A (0.82) RAB9AALDH1A1HPGDKMT2AMEN1
SCHEMBL3380039 0.85 RAB9A (0.65) RAB9AALDH1A1HPGDKMT2AMEN1
SCHEMBL12019757 0.85 RAB9A (0.65) RAB9AALDH1A1HPGDKMT2AMEN1
SCHEMBL14115136 0.85 ALDH1A1 (0.70) RAB9AALDH1A1HPGDKMT2AMEN1
SCHEMBL24175853 0.83 ALDH1A1 (0.68) RAB9AALDH1A1HPGDKMT2AMEN1
SCHEMBL4821933 0.83 RAB9A (0.63) RAB9AALDH1A1HPGDKMT2AMEN1
SCHEMBL22901903 0.83 RAB9A (0.63) RAB9AALDH1A1HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020046403-A1 NOVEL PROCESS FOR THE PREPARATION OF ENANTIOPURE 3- ENANTIOPURE 3-AMINO TETRAHYDROFURAN AND ITS SALTS MAJEED MUHAMMED (US) 2020-03-05 WO disclosed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP disclosed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 WO disclosed