SCHEMBL7958989

SCHEMBL7958989

CC(=O)N1CCN(NC(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
CYP2D6 P10635 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43

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
SCHEMBL7975299 0.86 CYP2D6 (0.48) CYP2D6MEN1KMT2ACYP2C9POLB
Water SCHEMBL3089403 0.82 CYP2D6 (0.70) CCNA2CDK2CCNA1CYP2D6CYP2C9
SCHEMBL8018069 0.82 CYP2D6 (0.53) CYP2D6KMT2ACYP2C9GAANPC1
SCHEMBL7972839 0.82 CYP2D6 (0.53) CYP2D6MEN1KMT2ACYP2C9GAA
SCHEMBL7975191 0.81 CYP2D6 (0.57) CYP2D6PDK1PDK2PDK3PDK4
SCHEMBL194951 0.81 CYP2D6 (0.72) CCNA2CDK2CCNA1CYP2D6CYP2C9
SCHEMBL14590778 0.80 HTT (0.65) CYP2D6KMT2ACYP2C9GAANPC1
SCHEMBL7968909 0.79 CYP2D6 (0.50) CYP2D6CYP2C9GAANPC1RAB9A
SCHEMBL7970177 0.78 PLK1 (0.50) CYP2D6MEN1KMT2ACYP2C9POLB
SCHEMBL7972482 0.78 CYP2D6 (0.49) CYP2D6POLBALDH1A1NAMPTHTT

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