SCHEMBL4741562

SCHEMBL4741562

CC(N)C(N)Cc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.49
▸ CHRNA7 P36544 2/20 0.48
▸ CHRNB2 P17787 3/20 0.47
▸ CHRNA4 P43681 3/20 0.47
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TBXAS1 P24557 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HRH1 P35367 2/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL13416791 0.89 FDPS (0.49) FDPSCHRNA7CHRNB2CHRNA4CYP2A6
SCHEMBL290633 0.85 SLC6A2 (0.57) FDPSCHRNA7CHRNB2CHRNA4CYP2A6
SCHEMBL12894954 0.85 SLC6A2 (0.57) FDPSCHRNA7CHRNB2CHRNA4CYP2A6
SCHEMBL29669201 0.85 SLC6A2 (0.57) FDPSCHRNA7CHRNB2CHRNA4CYP2A6
SCHEMBL21947449 0.81 FDPS (0.53) FDPSCHRNA7CHRNB2CHRNA4CYP2A6
SCHEMBL20038719 0.81 FDPS (0.53) FDPSCHRNA7CHRNB2CHRNA4CYP2A6
SCHEMBL103883 0.80 FDPS (0.55) FDPSCHRNA7CHRNB2CHRNA4CYP2D6
SCHEMBL19079574 0.80 FDPS (0.47) FDPSCHRNA7CHRNB2CHRNA4CYP2A6
SCHEMBL19079571 0.80 FDPS (0.47) FDPSCHRNA7CHRNB2CHRNA4CYP2A6
SCHEMBL19079576 0.80 FDPS (0.47) FDPSCHRNA7CHRNB2CHRNA4CYP2A6

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-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 — — WO disclosed
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