SCHEMBL8969903

SCHEMBL8969903

Clc1ccc2c(c1Cl)CN1C(=N2)C2CCC1C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
MEN1 O00255 1/20 0.40
PDE2A O00408 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RY12 Q9H244 1/20 0.40
CTSD P07339 1/20 0.35
OPRM1 P35372 3/20 0.33
OPRL1 P41146 3/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 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
SCHEMBL8969282 0.86 CTSD (0.34) PDE3BPDE3ACTSDOPRM1OPRL1
SCHEMBL8969508 0.86 PDE3B (0.33) PDE3BPDE3ACTSDLMNACYP1A2
SCHEMBL8970030 0.84 CTSD (0.50) PDE3BPDE3ACTSDOPRM1OPRL1
SCHEMBL8968559 0.82 PDE3B (0.44) PDE3BPDE3AMEN1PDE2AKMT2A
SCHEMBL8969666 0.80 CTSD (0.34) PDE3BPDE3ACTSDOPRM1OPRL1
SCHEMBL8969444 0.80
SCHEMBL8969017 0.80
SCHEMBL8969218 0.80 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL8968743 0.80
SCHEMBL8969639 0.78 OPRL1 (0.33) CTSDOPRM1OPRL1

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