SCHEMBL7972591

SCHEMBL7972591

Cc1ccc(C(=O)N2CCN(NC(=O)c3ccc(F)cc3)CC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.58
GRM5 P41594 2/20 0.52
PRKAA2 P54646 4/20 0.47
HRH3 Q9Y5N1 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL14817973 0.83 CYP2D6 (0.65) CYP2D6CA12CA1CA2CA7
SCHEMBL5909022 0.81 SMN1; SMN2 (0.63) GRM5L3MBTL1MEN1KMT2A
SCHEMBL7972134 0.81 HDAC1 (0.53) CYP2D6GRM5
SCHEMBL9185373 0.79 CYP2D6 (0.62) CYP2D6L3MBTL1CA12CA1CA2
SCHEMBL7975189 0.79 CYP2D6 (0.62) CYP2D6L3MBTL1CA12CA1CA2
SCHEMBL7970388 0.79 CYP2D6 (0.62) CYP2D6L3MBTL1CA12CA1CA2
SCHEMBL7969951 0.79 CYP2D6 (0.62) CYP2D6CA12CA1CA2CA7
SCHEMBL7970184 0.78 CYP2D6 (0.61) CYP2D6L3MBTL1CA12CA1CA2
SCHEMBL7972620 0.78 CYP2D6 (0.60) CYP2D6L3MBTL1CA12CA1CA2
SCHEMBL7970528 0.78 CYP2D6 (0.60) CYP2D6L3MBTL1CA12CA1CA2

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 3 patents. 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
EP-0968201-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-05 EP disclosed
WO-1998035951-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-20 WO disclosed