SCHEMBL7970528

SCHEMBL7970528

COc1ccc(C(=O)N2CCN(NC(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.60
ALDH1A1 P00352 5/20 0.60
LMNA P02545 1/20 0.60
HSD11B1 P28845 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTT P42858 2/20 0.57
HPGD P15428 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
S1PR2 O95136 1/20 0.52

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
SCHEMBL7969951 0.88 CYP2D6 (0.62) CYP2D6ALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL14817973 0.85 CYP2D6 (0.65) CYP2D6ALDH1A1LMNAHSD11B1HTT
SCHEMBL7958924 0.85 S1PR2 (0.55) CYP2D6ALDH1A1HSD11B1HTTCA12
SCHEMBL7972857 0.85 HSD11B1 (0.62) CYP2D6HSD11B1CA12CA1CA2
SCHEMBL7975189 0.84 CYP2D6 (0.62) CYP2D6ALDH1A1HSD11B1CA12CA1
SCHEMBL9185373 0.84 CYP2D6 (0.62) CYP2D6ALDH1A1HSD11B1HTTALOX15
SCHEMBL7970388 0.84 CYP2D6 (0.62) CYP2D6ALDH1A1HSD11B1MAPK1CA12
SCHEMBL7970184 0.83 CYP2D6 (0.61) CYP2D6ALDH1A1HSD11B1CA12CA1
SCHEMBL7972315 0.82 ALDH1A1 (0.52) CYP2D6ALDH1A1SMN1; SMN2HTTHPGD
SCHEMBL7972620 0.82 CYP2D6 (0.60) CYP2D6ALDH1A1LMNAHSD11B1CA12

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-6291464-B1 POTENTIATION OF THE CHOLINERGIC ACTIVITY; THERAPEUTIC TREATMENT OF AMNESIA, DEMENTIA OR SENILE DEMENTIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed