SCHEMBL13593111

SCHEMBL13593111

O=C(NCc1ccccc1)c1nnc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.52
MAPT P10636 2/20 0.45
SCN2A Q99250 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
LMNA P02545 2/20 0.43
ABCB1 P08183 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TEAD2 Q15562 1/20 0.42
THRB P10828 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.41
DHODH Q02127 1/20 0.41
GAA P10253 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL13593118 0.90 CNR1 (0.46) CNR1MAPTLMNAABCB1SMN1; SMN2
SCHEMBL3552729 0.90 CNR1 (0.44) CNR1MAPTLMNATHRBCNR2
SCHEMBL13593120 0.89 LMNA (0.52) CNR1MAPTLMNACNR2GAA
SCHEMBL13593112 0.82 MEN1 (0.45) CNR1CNR2
SCHEMBL13593119 0.81 TSPO (0.43) CNR1LMNASMN1; SMN2ALDH1A1
SCHEMBL13593117 0.79 CNR1 (0.41) CNR1CNR2
SCHEMBL13593113 0.79 CNR1 (0.52) CNR1CNR2
SCHEMBL3555218 0.78 TP53 (0.45) CNR1MAPTLMNASMN1; SMN2CNR2
SCHEMBL3562031 0.77 PDK1 (0.42) CNR1CNR2
SCHEMBL3556587 0.77 MGLL (0.52)

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
US-7632837-B2 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-7632837-B2 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed