SCHEMBL13809765

SCHEMBL13809765

Cc1cnc2c(c1)CN(C(=O)[C@@]1(CC3CC3)CCN(Cc3ccc4ccc(=O)n(C)c4c3)C1)CC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MCHR1 Q99705 3/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MCHR2 Q969V1 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NAMPT P43490 1/20 0.32
▸ CCR2 P41597 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SSTR5 P35346 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL13809767 1.00 SMN1; SMN2 (0.36) SMN1; SMN2GAAMCHR1KCNH2MCHR2
SCHEMBL3735950 0.90 CCR2 (0.42) KCNH2CCR2
SCHEMBL1119890 0.90 CCR2 (0.42) KCNH2CCR2
SCHEMBL3742106 0.90 CCR2 (0.42) KCNH2CCR2
SCHEMBL13074493 0.89 MCHR1 (0.33) MCHR1KCNH2MCHR2NAMPTSSTR5
SCHEMBL13074492 0.89 MCHR1 (0.33) MCHR1KCNH2MCHR2NAMPTSSTR5
SCHEMBL1120051 0.85 CCR2 (0.41) KCNH2CCR2
SCHEMBL1119838 0.83 CCR2 (0.42) KCNH2CCR2
SCHEMBL1119805 0.80 CCR2 (0.39) KCNH2CCR2
SCHEMBL1119826 0.80 CCR2 (0.39) KCNH2CCR2

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-2009076512-A1 CARBOXAMIDΞ COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS EPIX DELAWARE, INC. (US) 2009-06-18 — — WO disclosed
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