SCHEMBL30604361

SCHEMBL30604361

O=c1[nH]c(C2(c3cccc4ccccc34)CC2)nc2c1CNCC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
TNKS O95271 7/20 0.40
TNKS2 Q9H2K2 7/20 0.40
HTR2C P28335 2/20 0.38
PSMD14 O00487 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 1/20 0.33
HTR6 P50406 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
PNMT P11086 2/20 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
SCHEMBL23972782 1.00 PARP1 (0.40) PARP1TNKSTNKS2HTR2CPSMD14
SCHEMBL23973239 0.85 TNKS (0.41) PARP1TNKSTNKS2HTR2CTAAR1
SCHEMBL23972481 0.82 HTR2C (0.44) PARP1TNKSTNKS2HTR2CMAPT
SCHEMBL23973229 0.80 TNKS (0.40) PARP1TNKSTNKS2HTR2CCYP1A2
SCHEMBL34464429 0.79 TNKS (0.40) PARP1TNKSTNKS2HTR2CMAPT
SCHEMBL23972239 0.79 TNKS (0.41) PARP1TNKSTNKS2HTR2CTAAR1
SCHEMBL23973342 0.78 HTR2C (0.42) PARP1TNKSTNKS2HTR2CMAPT
SCHEMBL23973332 0.78 MAPT (0.41) PARP1TNKSTNKS2HTR2CCYP1A2
SCHEMBL23973129 0.78 HTR2C (0.43) PARP1TNKSTNKS2HTR2CMAPT
SCHEMBL34464153 0.78 HTR2C (0.37) PARP1TNKSTNKS2HTR2CMAPT

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
EP-4142874-B1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2026-04-22 EP disclosed