SCHEMBL10099700

SCHEMBL10099700

ClCc1nc(-c2ccccc2)cn1CCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.58
ACP1 P24666 2/20 0.46
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
CNR1 P21554 1/20 0.43
ACHE P22303 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL10099707 0.87 PDE10A (0.58) PDE10AACP1
SCHEMBL24956782 0.81 PDE10A (0.52) PDE10AACP1LMNACYP1A2CYP3A4
SCHEMBL1829467 0.74 PDE10A (1.00) PDE10A
SCHEMBL259023 0.74 PDE10A (0.51) PDE10ALMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL10099712 0.73 CNR1 (0.49) PDE10ACNR1ALDH1A1SMN1; SMN2
SCHEMBL259710 0.73 PDE10A (1.00) PDE10A
SCHEMBL259692 0.73 PDE10A (1.00) PDE10A
SCHEMBL1825901 0.73 PDE10A (1.00) PDE10A
SCHEMBL17401013 0.72 PDE10A (0.44) PDE10AACP1
SCHEMBL259076 0.70 PDE10A (0.52) PDE10A

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
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO disclosed