SCHEMBL8045803

SCHEMBL8045803

CC(C)CCN(CCC(C)C)C(=O)c1ccc(=N)[nH]c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
F7 P08709 2/20 0.40
MLYCD O95822 4/20 0.40
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
KDM4E B2RXH2 1/20 0.36
MC4R P32245 11/20 0.36
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34

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
SCHEMBL6207340 0.74 HPGD (0.51) F2F10F7MLYCDLPAR1
SCHEMBL12687787 0.71 MLYCD (0.44) F2F10F7MLYCDLPAR1
SCHEMBL12156556 0.70 MLYCD (0.43) F2F10F7MLYCDLPAR1
SCHEMBL10460373 0.70 MLYCD (0.48) F2F10F7MLYCDLPAR1
SCHEMBL13034663 0.69 F2 (0.36) F2F10F7MLYCDLPAR1
SCHEMBL12465682 0.69 MLYCD (0.42) F2F10F7MLYCDLPAR1
SCHEMBL3041802 0.69 GABRP (0.47) F2F10F7MLYCDLPAR1
SCHEMBL3044303 0.68 LPAR1 (0.36) F2F10F7MLYCDLPAR1
Bromide SCHEMBL3044300 0.68 LPAR1 (0.36) F2F10F7LPAR1LPAR5
SCHEMBL8806252 0.67 HPGD (0.47) F2F10F7MLYCDLPAR1

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
WO-2010034500-A1 SUBSTITUTED IMIDAZOPYRIDINE, IMIDAZOPYRAZINE, IMIDAZOPYRIDAZINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-01 WO disclosed
EP-2168965-A1 Substituted imidazopyridine, imidazopyrazine, imidazopyridazine and imidazopyrimidine derivatives as melanocortin-4 receptor antagonists Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-03-31 EP disclosed
WO-2009080291-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-07-02 WO disclosed