SCHEMBL4336492

SCHEMBL4336492

c1csc(N2CCN3CCC2CC3)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 5/20 0.40
▸ HTR3A P46098 5/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGD P15428 1/20 0.37
▸ KCNH2 Q12809 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL2639218 0.79 HRH3 (0.37) CHRNA7HTR3A
SCHEMBL5673020 0.72 CHRNA7 (0.38) CHRNA7HTR3AKCNH2
SCHEMBL2638224 0.71 CHRNA7 (0.56) CHRNA7HTR3AKCNH2
SCHEMBL5358060 0.69 CHRNA7 (0.39) CHRNA7HTR3A
SCHEMBL15160536 0.69 ALDH1A1 (0.44) TDP1POLBAPEX1RECQLL3MBTL1
SCHEMBL3985348 0.69 ALOX15 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19540314 0.68 HPGD (0.50) TDP1POLBAPEX1RECQLL3MBTL1
SCHEMBL29102030 0.66 — —
SCHEMBL2641493 0.66 CHRNA7 (0.36) CHRNA7HTR3AKCNH2
SCHEMBL9031375 0.66 ADORA2A (0.54) TDP1POLBAPEX1RECQLL3MBTL1

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-1713487-B1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2009-12-02 — — EP disclosed
Send feedback