SCHEMBL9813674

SCHEMBL9813674

[c]1ccnc(-c2cc[c]nc2)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32

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
SCHEMBL1893518 0.79 CYP2A6 (0.53) CYP2A6
SCHEMBL743499 0.77 CYP2D6 (0.41) CYP2A6
SCHEMBL320237 0.76 CYP2A6 (0.58) CYP2A6
SCHEMBL231750 0.74 ASIC3 (0.45) CYP2A6
SCHEMBL28242951 0.73 TRPV4 (0.42)
SCHEMBL747020 0.72 CYP2A6 (0.48) CYP2A6
SCHEMBL606773 0.72 LMNA (0.42)
SCHEMBL745572 0.72
SCHEMBL1450328 0.72 KDM4E (0.36)
SCHEMBL5534502 0.69 KMT2A (0.40)

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
EP-0163245-B1 DERIVATIVES OF ALKYL-SUBSTITUTED 4-HYDROXY-METHYL-PIPERIDINE AND USE THEREOF AS STABILIZERS AUSIMONT S.r.l. (IT) 1991-07-31 EP claimed