SCHEMBL8111110

SCHEMBL8111110

CC(N)c1ccccc1/C=C/[C]=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PNMT P11086 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HTR2A P28223 3/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL7179143 0.85 GABRA1 (0.38) CYP1A2CYP3A4LMNAMAPT
SCHEMBL7179138 0.85 GABRA1 (0.38) CYP1A2CYP3A4LMNAMAPT
SCHEMBL13446821 0.79 CYP2D6 (0.41) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL3811810 0.76 LMNA (0.41) NFKB1LMNAALDH1A1GLAMAPT
SCHEMBL1935211 0.75 LMNA (0.50) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL7659652 0.75 KDM4E (0.38) CYP1A2CYP3A4LMNAALDH1A1MAPT
SCHEMBL8985163 0.74 CA1 (0.53) NFKB1LMNAALDH1A1MAPT
SCHEMBL8985156 0.74 CA1 (0.53) NFKB1LMNAALDH1A1MAPT
SCHEMBL7965579 0.73 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6LMNAALDH1A1
SCHEMBL4788211 0.71 ALOX15 (0.38) CYP1A2CYP3A4CYP2D6LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716661-B1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS INC (US) 2000-04-05 — — EP disclosed
US-5552383-A ANALGESIC, ANTIINFLAMMATORY FOR WOUNDS SCIOS NOVA INC. (US) 1996-09-03 — — US disclosed
US-5541286-A Bradykinin antagonist pseudopeptide derivatives of olefinic aminoalkanoic acids SCIOS NOVA INC. (US) 1996-07-30 — — US disclosed
EP-0716661-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1996-06-19 — — EP disclosed
WO-1995007294-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1995-03-16 — — WO disclosed
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