SCHEMBL8969596

SCHEMBL8969596

Cc1c(Cl)ccc2c1CN1C(=N2)C2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL8969688 0.86 PDE3B (0.34) PDE3BPDE3A
SCHEMBL8969686 0.86 PDE3B (0.45) PDE3BPDE3A
SCHEMBL8969650 0.84 PDE3B (0.33) PDE3BPDE3A
SCHEMBL8968716 0.81 CTSD (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL8968900 0.79 HTR2A (0.33)
SCHEMBL8968544 0.79
SCHEMBL8969469 0.79
SCHEMBL8969806 0.78
SCHEMBL8970620 0.75
SCHEMBL8969336 0.75

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed