SCHEMBL7451212

SCHEMBL7451212

O=C(NCCN1CCOCC1)c1ccc(CO)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 8/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ HTR1A P08908 1/20 0.73
▸ MAOA P21397 1/20 0.73
▸ MAOB P27338 1/20 0.73
▸ KCNH2 Q12809 1/20 0.73
▸ HPGD P15428 1/20 0.70
▸ POLB P06746 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ EPHX2 P34913 3/20 0.64
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ TSHR P16473 1/20 0.62

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
SCHEMBL8404675 0.88 CD274 (0.71) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL28212521 0.88 CD274 (0.71) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL2251460 0.88 CD274 (0.76) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL8404677 0.88 CD274 (0.71) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL6569882 0.86 CD274 (0.77) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL4488493 0.86 CD274 (0.77) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL23840700 0.85 CD274 (0.71) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL14393672 0.85 CD274 (0.68) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL15947384 0.85 CD274 (0.68) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL20671965 0.85 CD274 (0.68) CD274ALDH1A1HTR1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 — — EP disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 — — US disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 — — US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 — — US disclosed
EP-0912567-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1999-05-06 — — EP disclosed
WO-1997043287-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1997-11-20 — — WO disclosed
Send feedback