SCHEMBL6984579

SCHEMBL6984579

CC(CC1(c2ccccn2)CCCCC1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ NMBR P28336 10/20 0.39
▸ GRPR P30550 5/20 0.39
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MME P08473 1/20 0.36
▸ SLC6A9 P48067 2/20 0.36
▸ FPR2 P25090 2/20 0.35
▸ FPR1 P21462 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
SCHEMBL6984588 0.76 HSD11B1 (0.44) HSD11B1GRIN1GRIN2AGRIN2BNMBR
SCHEMBL1813952 0.75 GAA (0.50) HSD11B1GRIN1GRIN2AGRIN2BNMBR
SCHEMBL28459324 0.74 GRIN1 (0.50) HSD11B1GRIN1GRIN2AGRIN2BEPHX2
SCHEMBL6182607 0.74 DPP4 (0.52) GRIN1GRIN2AGRIN2BSLC6A2SLC6A4
SCHEMBL6803003 0.74 DPP4 (0.52) GRIN1GRIN2AGRIN2BSLC6A2SLC6A4
SCHEMBL27459789 0.74 GRIN1 (0.50) HSD11B1GRIN1GRIN2AGRIN2BSLC6A2
SCHEMBL6804298 0.73 CYP1A2 (0.45) MME
SCHEMBL6224577 0.72 NMBR (0.40) HSD11B1GRIN1GRIN2AGRIN2BNMBR
SCHEMBL15863115 0.72 GRIN1 (0.47) HSD11B1GRIN1GRIN2AGRIN2BEPHX2
SCHEMBL20777704 0.72 DPP4 (0.53) GRIN1GRIN2AGRIN2BSLC6A2SLC6A4

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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