SCHEMBL7287166

SCHEMBL7287166

CN1CCN(c2cc(Cl)ccc2/C=C\C(=O)NCc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 2/20 0.48
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
MAPK1 P28482 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7287171 1.00 LMNA (0.52) LMNAHTTKMT2AMEN1CYP1A2
SCHEMBL7285761 0.92 SMN1; SMN2 (0.52) LMNAHTTKMT2AMEN1CYP1A2
SCHEMBL7285760 0.92 SMN1; SMN2 (0.52) LMNAHTTKMT2AMEN1CYP1A2
SCHEMBL7286482 0.89 KMT2A (0.55) LMNAHTTKMT2AMEN1CYP1A2
SCHEMBL7286486 0.89 KMT2A (0.55) LMNAHTTKMT2AMEN1CYP1A2
SCHEMBL7286627 0.84 KMT2A (0.47) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL7286633 0.84 KMT2A (0.47) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL7284217 0.80 KMT2A (0.52) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL7284221 0.80 KMT2A (0.52) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL7289041 0.79 L3MBTL1 (0.53) LMNAKMT2AMEN1CYP1A2CYP3A4

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
EP-0810220-B1 Arylacrylamide derivatives as 5HT1 agonists or antagonists PFIZER (US) 2001-12-12 EP disclosed
US-6258953-B1 Arylacrylamide derivatives PFIZER INC. 2001-07-10 US disclosed
EP-0810220-A1 Arylacrylamide derivatives as 5HT1 agonists or antagonists PFIZER INC. (US) 1997-12-03 EP disclosed