SCHEMBL7182805

SCHEMBL7182805

COc1ccc(C=CCN2CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.58
LTA4H P09960 1/20 0.58
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.53
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
APP P05067 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL2092607 0.87 MAPK1 (0.47) HRH3LTA4HMAPK1LMNAGAA
SCHEMBL2090463 0.86 MAPK1 (0.51) HRH3MAPK1LMNAGAATSHR
SCHEMBL2090464 0.86 MAPK1 (0.51) HRH3MAPK1LMNAGAATSHR
SCHEMBL9323597 0.81 SIGMAR1 (0.68) LTA4HMAPK1LMNAGAATSHR
SCHEMBL15759176 0.81 LTA4H (0.63) HRH3LTA4HMAPK1LMNAGAA
SCHEMBL11586577 0.80 MAPK1 (0.51) MAPK1LMNAGAATSHRL3MBTL1
SCHEMBL11586576 0.80 MAPK1 (0.51) MAPK1LMNAGAATSHRL3MBTL1
SCHEMBL14924490 0.79 LTA4H (0.61) HRH3LTA4HMAPK1LMNAGAA
SCHEMBL29253444 0.79 LTA4H (0.61) HRH3LTA4HMAPK1LMNAGAA
SCHEMBL18085065 0.79 LTA4H (0.61) HRH3LTA4HMAPK1LMNAGAA

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-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed