SCHEMBL6920917

SCHEMBL6920917

CCN(CC)c1cc(C)nn2cc(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.40
LMNA P02545 3/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMPD3 Q9NY59 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL3968151 0.74 ALDH1A1 (0.40) LMNAALDH1A1HPGDHSD17B10SMPD3
SCHEMBL3970342 0.72 KDM4E (0.52) LMNAALDH1A1HPGDHSD17B10SMPD3
SCHEMBL3966510 0.71 ALDH1A1 (0.38) LMNAALDH1A1HPGDHSD17B10SMPD3
SCHEMBL3924161 0.70 CRHR1 (0.41) CRHR1LMNAALDH1A1HPGDHSD17B10
SCHEMBL20528869 0.69 ALDH1A1 (0.42) LMNAALDH1A1HPGDHSD17B10SMPD3
SCHEMBL25151362 0.69 ALDH1A1 (0.42) LMNAALDH1A1HPGDHSD17B10SMPD3
SCHEMBL3923464 0.68 SMPD3 (0.36) CRHR1ALDH1A1HPGDHSD17B10SMPD3
SCHEMBL3959800 0.67 ALDH1A1 (0.40) LMNAALDH1A1HPGDHSD17B10SMPD3
SCHEMBL25151627 0.67 ALDH1A1 (0.40) LMNACYP1A2MAPK1ALDH1A1HPGD
SCHEMBL25151336 0.67 SMPD3 (0.38) LMNAALDH1A1HPGDHSD17B10SMPD3

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-2011051342-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed