SCHEMBL7677679

SCHEMBL7677679

CC(NC=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 4/20 0.46
ADRB2 P07550 2/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR2 P34972 2/20 0.41
TYR P14679 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BRD4 O60885 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRCP P42785 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7677677 1.00 FFAR2 (0.46) FFAR2ADRB2GAAHPGDSMN1; SMN2
SCHEMBL20811278 1.00 FFAR2 (0.46) FFAR2ADRB2GAAHPGDSMN1; SMN2
SCHEMBL8763413 0.89 ADH1B (0.46) GAASMN1; SMN2TYRALDH1A1HTT
SCHEMBL5565853 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL11857789 0.79 ESR1 (0.48) ADRB2SMN1; SMN2TYRALDH1A1HTT
SCHEMBL29062520 0.79 HTT (0.46) ADRB2ALDH1A1HDAC4HDAC7HDAC5
SCHEMBL1911630 0.79 HTT (0.46) ADRB2ALDH1A1HDAC4HDAC7HDAC5
SCHEMBL14186856 0.79 HTT (0.46) ADRB2ALDH1A1HDAC4HDAC7HDAC5
SCHEMBL5561037 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL5566179 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6500986-B1 RACEMIZATION OF OPTICALLY ACTIVE AMIDES; CONVERSION TO AMINES BAYER AKTIENGESELLSCHAFT (DE) 2002-12-31 US claimed
EP-0757981-B1 Process for the preparation of racemic amino derivatives BAYER AG (DE) 2000-02-16 EP claimed
EP-0757981-A1 Process for the preparation of racemic amino derivatives BAYER AG (DE) 1997-02-12 EP claimed
US-6500986-B1 RACEMIZATION OF OPTICALLY ACTIVE AMIDES; CONVERSION TO AMINES BAYER AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0757981-B1 Process for the preparation of racemic amino derivatives BAYER AG (DE) 2000-02-16 EP disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0757981-A1 Process for the preparation of racemic amino derivatives BAYER AG (DE) 1997-02-12 EP disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed