SCHEMBL29068486

SCHEMBL29068486

CCCN(CCC)c1ccc2c(c1)Cc1ccc(N(C)c3ccccc3)cc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HIF1A Q16665 1/20 0.42
PDK2 Q15119 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MCHR1 Q99705 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL30572821 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11646164 0.89 HSD17B10 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29068501 0.86 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30572831 0.86 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3420482 0.84 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30572795 0.83 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29068490 0.83 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17904140 0.81 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17904143 0.81 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29068462 0.78 HSD17B10 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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
CN-116745115-A Laminate, card and case 索尼集团公司 2023-09-12 CN disclosed