SCHEMBL8969611

SCHEMBL8969611

Cc1ccc2c(c1C)CN1C=CC=CC1=N2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8968430 0.85 MEN1 (0.31) PDE3BPDE3A
SCHEMBL8968208 0.85 PDE3B (0.31) PDE3BPDE3A
SCHEMBL8969583 0.81 KDM4E (0.30) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969874 0.75 KDM4E (0.30) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969217 0.75 PDE3B (0.43) PDE3BPDE3AKDM4EALDH1A1POLB
SCHEMBL8969607 0.73 KDM4E (0.31) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969165 0.73
SCHEMBL8969342 0.73
SCHEMBL8970477 0.73 KDM4E (0.32) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969612 0.72 PDE3B (0.34) PDE3BPDE3AKDM4EALDH1A1POLB

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