SCHEMBL7650752

SCHEMBL7650752

CCN(CC)C(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.60
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
S1PR3 Q99500 1/20 0.56
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 1/20 0.55
BLM P54132 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
OPRD1 P41143 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
OPRM1 P35372 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
SCHEMBL7657327 0.84 POLB (0.65) POLBSMN1; SMN2MEN1KMT2AS1PR3
SCHEMBL7651627 0.79 POLB (0.76) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL7657652 0.79 POLB (0.76) POLBSMN1; SMN2MEN1KMT2AS1PR3
SCHEMBL4576597 0.78 ALDH1A1 (0.63) ALDH1A1HPGDMAPTOPRD1L3MBTL1
SCHEMBL7655911 0.78 SMN1; SMN2 (0.66) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL1383257 0.77 POLB (1.00) POLBSMN1; SMN2MEN1KMT2AS1PR3
SCHEMBL4576604 0.76 ALDH1A1 (0.65) ALDH1A1HPGDMAPTOPRD1L3MBTL1
SCHEMBL1593502 0.76 ALDH1A1 (0.76) POLBRAB9ASMN1; SMN2NPC1PKM
SCHEMBL7521548 0.75 RAB9A (0.46) RAB9ASMN1; SMN2NPC1PKMCDK5
SCHEMBL673385 0.75 HDAC1 (0.69) POLBSMN1; SMN2MEN1KMT2AS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407120-B1 ADMINISTERING PYRIDINYLACETAMIDE OR PHENYLACETAMIDE DERIVATIVE TO TREAT CARDIOVASCULAR, EATING, SEXUAL, BRAIN, NERVOUS SYSTEM, GASTROINTESTINAL, UROGENITAL, PSYCHOLOGICAL, AND RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2002-06-18 US disclosed