SCHEMBL7543674

SCHEMBL7543674

NC(=O)C(=C1CCCCN1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 4/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
CYP2C19 P33261 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 3/20 0.36

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
SCHEMBL1144315 0.87 RAB9A (0.56) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL15384064 0.80 SMN1; SMN2 (0.50) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL7541114 0.80 SMN1; SMN2 (0.50) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL7540214 0.77 SMN1; SMN2 (0.47) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL7547525 0.77 NPC1 (0.47) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL5764963 0.75 NPC1 (0.54) RAB9ANPC1HPGDSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL10749720 0.74 NPC1 (0.53) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL5766517 0.73 RAB9A (0.51) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL5766519 0.73 RAB9A (0.51) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL11367779 0.72 RAB9A (0.58) RAB9ANPC1HPGDSMN1; SMN2MAPT

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
EP-0860432-B1 2-Phenyl-2-(2'-piperidinylidene) acetate derivative, process for manufacturing the same, and process for manufacturing optically active 2-phenyl-2(2'-piperidinyl) acetate derivative by asymmetrically hydrogenating the same TAKASAGO PERFUMERY CO LTD (JP) 2002-06-05 EP disclosed
US-5859249-A CYCLIZATION A 7-(N-SUBSTITUTED AMINO)-3-OXO-2-PHENYLHEPTANOATE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-01-12 US disclosed
US-5801271-A CHEMICAL INTERMEDIATES FOR ANTIDEPRESSANTS TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-09-01 US disclosed
EP-0860432-A1 2-Phenyl-2-(2'-piperidinylidene) acetate derivative, process for manufacturing the same, and process for manufacturing optically active 2-phenyl-2(2'-piperidinyl) acetate derivative by asymmetrically hydrogenating the same Takasago International Corporation (JP) 1998-08-26 EP disclosed
EP-0860426-A1 7-(n-substituted amino)-2-phenylheptanoic acid derivative and process for manufacturing the same Takasago International Corporation (JP) 1998-08-26 EP disclosed