SCHEMBL13748469

SCHEMBL13748469

O=C1Nc2ncncc2C12CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
MAP3K11 Q16584 1/20 0.36
CALCA P06881 1/20 0.31
OPRM1 P35372 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
SCHEMBL29388502 0.90 MAP3K11 (0.39) MAP3K11
SCHEMBL30748859 0.87 MAP3K11 (0.43) MAP3K11
SCHEMBL30748975 0.87 MAP3K11 (0.46) MAP3K11
SCHEMBL30749023 0.85 MAP3K11 (0.45) MAP3K11
SCHEMBL15935920 0.80 FGFR1 (0.38) MAP3K11CALCA
SCHEMBL15117493 0.76 MAP3K11 (0.41) BACE1MAP3K11CALCAOPRM1
SCHEMBL31349435 0.75 MAP3K11 (0.42) BACE1MAP3K11CALCAOPRM1
SCHEMBL13748033 0.75
SCHEMBL15699563 0.75 MAP3K11 (0.42) BACE1MAP3K11CALCAOPRM1
SCHEMBL550356 0.74 CALCA (0.50) BACE1CALCAOPRM1

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
WO-2009105348-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-08-27 WO disclosed