SCHEMBL7892776

SCHEMBL7892776

C=C(CSCCN)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ MAOA P21397 4/20 0.46
▸ MAOB P27338 4/20 0.46
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KIF11 P52732 5/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7900084 0.82 MAOA (0.42) MAOAMAOBTSHRALDH1A1
SCHEMBL7900079 0.78 CYP2C19 (0.53) CYP2C19MAOAMAOBALDH1A1
SCHEMBL7892788 0.78 PTGS2 (0.41) MAOAMAOBCYP2C9ALDH1A1
SCHEMBL17424798 0.75 GMNN (0.49) CYP2C9
SCHEMBL1536703 0.74 MAOA (0.56) MAOAMAOBALDH1A1
SCHEMBL9496848 0.74 SMN1; SMN2 (0.45) CYP1A2CYP2D6CYP2C19MAOAMAOB
SCHEMBL7900060 0.74 ALDH1A1 (0.66) CYP1A2CYP2D6MAOAMAOBCYP3A4
SCHEMBL263093 0.72 MAOA (0.58) MAOAMAOB
SCHEMBL9786192 0.71 MAOA (0.47) MAOAMAOBALDH1A1
SCHEMBL7900052 0.71 MAOA (0.33) MAOAMAOBALDH1A1

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
US-5874511-A CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 — — US claimed
EP-0333758-B1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS COMMW SCIENT IND RES ORG (AU) 1995-11-02 — — EP claimed
US-6197905-B1 VINYL ETHER CHAIN TRANSFER AGENT TERMINATES THE GROWTH OF THE POLYMER CHAIN BY ADDITION TO THE PROPAGATING POLYMER RADICAL FOLLOWED BY EXPULSION OF A RADICAL WHICH THEN INITIATES ANOTHER POLYMER CHAIN COMMONWEALTH SCIENTIFIC & INDUSTRIAL RESARCH ORGANIZATION (AU) 2001-03-06 — — US disclosed
US-5932675-A Free-radical chain transfer polymerization process COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-08-03 — — US disclosed
US-5874511-A CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 — — US disclosed
EP-0333758-B1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS COMMW SCIENT IND RES ORG (AU) 1995-11-02 — — EP disclosed
US-5385996-A Control of molecular weight and end-group functionality of polymers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-01-31 — — US disclosed
EP-0333758-A4 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS. COMMW SCIENT IND RES ORG (AU) 1990-05-14 — — EP disclosed
EP-0333758-A1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS. COMMW SCIENT IND RES ORG (AU) 1989-09-27 — — EP disclosed
WO-1988004304-A1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 1988-06-16 — — WO disclosed
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