SCHEMBL14046437

SCHEMBL14046437

CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3ccc(N)cc3)c(CCC(=O)O)n2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.42
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ ALB P02768 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ TSPO P30536 2/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ GABRB2 P47870 3/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL14046585 0.89 SLC2A2 (0.41) SLC2A1ALBOPRK1KCNH2TSPO
SCHEMBL4671342 0.88 SLC2A1 (0.41) SLC2A1MTNR1AMTNR1BALBOPRK1
SCHEMBL14046533 0.85 MTNR1A (0.39) SLC2A1MTNR1AMTNR1BTSPOGABRB2
SCHEMBL4671352 0.83 SLC2A1 (0.48) SLC2A1MTNR1AMTNR1B
SCHEMBL14046548 0.80 SLC2A1 (0.42) SLC2A1ALBOPRK1KCNH2TSPO
SCHEMBL8036292 0.79 MCHR1 (0.40) SLC2A1
SCHEMBL11934195 0.79 SLC2A1 (0.42) SLC2A1ALBOPRK1KCNH2TSPO
SCHEMBL14046560 0.79 SLC2A1 (0.50) SLC2A1
SCHEMBL11929574 0.78 MC4R (0.47) SLC2A1
SCHEMBL4669651 0.78 SLC2A1 (0.40) SLC2A1ALBOPRK1KCNH2TSPO

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
WO-2008116665-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-10-02 — — WO disclosed
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