SCHEMBL5356709

SCHEMBL5356709

CC(=O)Nc1ccc2nc(C3CC3)cc(N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.55
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ GNG2 P59768 2/20 0.53
▸ GNB1 P62873 2/20 0.53
▸ MMP1 P03956 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7763069 0.80 GNG2 (0.81) MEN1KMT2AGNG2GNB1MMP1
SCHEMBL4825985 0.79 DHODH (0.52) MCHR1MEN1KMT2AGNG2GNB1
SCHEMBL4258680 0.77 MCHR1 (0.70) MCHR1
SCHEMBL13697268 0.76 KMT2A (0.61) MEN1KMT2AGNG2GNB1MMP1
SCHEMBL4816102 0.74 POLB (0.43) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL6199601 0.74 MCHR1 (0.63) MCHR1
SCHEMBL6204610 0.74 MCHR1 (0.78) MCHR1
SCHEMBL6203289 0.74 MCHR1 (0.78) MCHR1
SCHEMBL6203293 0.74 MCHR1 (0.78) MCHR1
SCHEMBL6204617 0.74 MCHR1 (0.78) MCHR1

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-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 — — US disclosed
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