SCHEMBL6984588

SCHEMBL6984588

NC(=O)CCCC1(c2ccccn2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ OPRM1 P35372 8/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ NMBR P28336 1/20 0.35
▸ GRPR P30550 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL8627195 0.79 GRIN1 (0.47) HSD11B1GRIN1GRIN2AGRIN2BOPRM1
SCHEMBL1813952 0.77 GAA (0.50) HSD11B1EPHX2GRIN1GRIN2AGRIN2B
SCHEMBL6803691 0.76 LMNA (0.44) HSD11B1EPHX2GRIN1GRIN2AGRIN2B
SCHEMBL6984579 0.76 HSD11B1 (0.40) HSD11B1EPHX2GRIN1GRIN2AGRIN2B
SCHEMBL6803003 0.76 DPP4 (0.52) GRIN1GRIN2AGRIN2BOPRM1KDM4E
SCHEMBL6182607 0.76 DPP4 (0.52) GRIN1GRIN2AGRIN2BOPRM1KDM4E
SCHEMBL27257481 0.76 POLB (0.40) EPHX2
SCHEMBL32670418 0.74 GRIN1 (0.41) HSD11B1EPHX2GRIN1GRIN2AGRIN2B
SCHEMBL20777704 0.74 DPP4 (0.53) GRIN1GRIN2AGRIN2BOPRM1KDM4E
SCHEMBL15863115 0.74 GRIN1 (0.47) HSD11B1EPHX2GRIN1GRIN2AGRIN2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334100-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-08-13 — — EP claimed
WO-2002040469-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 — — WO claimed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 — — EP claimed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 — — WO claimed
EP-1334100-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-08-13 — — EP disclosed
EP-1333829-A1 TREATMENT OF SEXUAL DYSFUNCTION USING BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2003-08-13 — — EP disclosed
WO-2002040469-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 — — WO disclosed
WO-2002040022-A1 TREATMENT OF SEXUAL DYSFUNCTION USING BOMBESIN ANTAGONIST WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 — — WO disclosed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 — — EP disclosed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 — — WO disclosed
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