SCHEMBL2434584

SCHEMBL2434584

O=C(O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-n4nccn4)ccc31)C2

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.68
CHRM2 P08172 10/20 0.67
CYP3A4 P08684 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL2441635 0.86 GHSR (0.66) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL2494182 0.85 GHSR (0.65) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL2441726 0.85 GHSR (0.65) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL12299433 0.83 GHSR (0.65) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL12329096 0.83 GHSR (0.64) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL2436649 0.82 GHSR (0.57) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL2437689 0.81 GHSR (0.58) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL2480131 0.81 GHSR (0.58) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL2436113 0.81 GHSR (0.47) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL2439490 0.81 GHSR (0.47) GHSRCHRM2CYP3A4HTR2BKCNH2

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
EP-2547679-A1 2,3 DIHYDRO-1H-INDEN-1-YL- 2,7-DIAZASPIRO [3.6]NONANE DERIVATIVES AND THEIR USE AS ANTAGONISTS OR INVERSE AGONISTS OF THE GHRELIN RECEPTOR Pfizer Inc. (US) 2013-01-23 EP disclosed
WO-2011114271-A1 2,3 DIHYDRO-1H-INDEN-1-YL- 2,7-DIAZASPIRO [3.6] NONANE DERIVATIVES AND THEIR USE AS ANTAGONISTS OR INVERSE AGONISTS OF THE GHRELIN RECEPTOR PFIZER INC. (US) 2011-09-22 WO disclosed