SCHEMBL4703373

SCHEMBL4703373

COC/C=C/c1ccc(Cl)c(C(=O)NC2CC2)c1.COCCCc1ccc(Cl)c(C(=O)NC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
P2RX7 Q99572 3/20 0.38
TSHR P16473 1/20 0.38
CRHR1 P34998 6/20 0.37
PTGES O14684 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
MCHR1 Q99705 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4703374 1.00 HPGD (0.40) HPGDSMN1; SMN2NR1H4P2RX7TSHR
SCHEMBL3089762 0.90 HPGD (0.47) HPGDSMN1; SMN2P2RX7TSHRCRHR1
SCHEMBL3089759 0.90 HPGD (0.47) HPGDSMN1; SMN2P2RX7TSHRCRHR1
SCHEMBL3079706 0.88 HPGD (0.49) HPGDSMN1; SMN2P2RX7TSHRCRHR1
SCHEMBL13538061 0.81 HPGD (0.51) HPGDSMN1; SMN2P2RX7TSHRCRHR1
SCHEMBL1518397 0.71 KMT2A (0.40) MCHR1
SCHEMBL1518400 0.71 KMT2A (0.40) MCHR1
SCHEMBL1072117 0.71 P2RX7 (0.43) HPGDSMN1; SMN2P2RX7CRHR2
SCHEMBL15809160 0.70 MRGPRX4 (0.48) HPGDPTGES
SCHEMBL1518229 0.69 MCHR1 (0.47) SMYD3MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 WO disclosed