SCHEMBL10453048

SCHEMBL10453048

CCCC(=O)c1ccc(CCN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
HSD17B3 P37058 2/20 0.58
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
THRA P10827 8/20 0.53
THRB P10828 8/20 0.53
TAAR1 Q96RJ0 3/20 0.50
STS P08842 1/20 0.50
HTR2A P28223 1/20 0.48
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR3A P46098 1/20 0.45
BACE1 P56817 1/20 0.45

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
SCHEMBL8971794 0.88 THRA (0.60) L3MBTL1HSD17B3HPGDSMN1; SMN2THRA
SCHEMBL29706047 0.86 THRA (0.63) HSD17B3THRATHRBSTSHTR2A
SCHEMBL27604328 0.85 HSD17B3 (0.62) L3MBTL1HSD17B3HPGDSMN1; SMN2THRA
SCHEMBL10452837 0.85 TAAR1 (0.54) L3MBTL1SMN1; SMN2THRATHRBTAAR1
Hydrochloric Acid SCHEMBL10451966 0.83 TAAR1 (0.52) L3MBTL1SMN1; SMN2THRATHRBTAAR1
SCHEMBL83484 0.83 THRA (0.68) L3MBTL1HSD17B3HPGDTHRATHRB
SCHEMBL26254861 0.82 HSD17B3 (0.82) L3MBTL1HSD17B3HPGDSMN1; SMN2STS
SCHEMBL9765140 0.81 L3MBTL1 (0.69) L3MBTL1SMN1; SMN2TAAR1KMT2ACYP1A2
SCHEMBL10462264 0.80 CYP4F2 (0.54) L3MBTL1HPGDTHRATHRBTAAR1
SCHEMBL4417711 0.80 HSD17B3 (0.67) L3MBTL1HSD17B3HPGDSMN1; SMN2THRA

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
US-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed
EP-0221344-B1 SULPHONYL-PHENYL ALKYL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1990-05-23 EP disclosed
EP-0221344-A1 Sulphonyl-phenyl alkyl amines, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1987-05-13 EP disclosed