SCHEMBL8438242

SCHEMBL8438242

CSc1nc2ccccc2n1-c1nccc(OCC2CCCCN2C)c1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 4/20 0.44
▸ CHRNA3 P32297 4/20 0.44
▸ CHRNB2 P17787 2/20 0.44
▸ CHRNA4 P43681 2/20 0.44
▸ CHRNB1 P11230 1/20 0.44
▸ CHRNB3 Q05901 1/20 0.44
▸ ADRA2A P08913 1/20 0.41

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
SCHEMBL8443199 0.81 TDP1 (0.43) —
SCHEMBL8441858 0.80 CYP2D6 (0.44) —
SCHEMBL8438243 0.79 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL8672721 0.76 PTGS2 (0.40) —
SCHEMBL8668966 0.76 SMN1; SMN2 (0.38) —
SCHEMBL8439867 0.76 LMNA (0.44) —
SCHEMBL8442148 0.76 KMT2A (0.44) —
SCHEMBL8441415 0.75 LMNA (0.43) —
SCHEMBL8551375 0.75 KDM4E (0.39) —
SCHEMBL8522389 0.74 POLB (0.44) —

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-5916904-A ANTIULCER EISAI CO., LTD. (JP) 1999-06-29 — — US disclosed
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