SCHEMBL6211448

SCHEMBL6211448

COc1cc2c(CCNC(C)=O)c3n(c2cc1I)C(=O)c1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 16/20 0.48
▸ MTNR1B P49286 16/20 0.48
▸ NQO2 P16083 2/20 0.46
▸ TACR1 P25103 1/20 0.45

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
SCHEMBL6194688 0.88 MTNR1A (0.50) MTNR1AMTNR1BNQO2TACR1
SCHEMBL5094791 0.88 TACR1 (0.43) MTNR1AMTNR1BTACR1
SCHEMBL6193835 0.83 MTNR1A (0.66) MTNR1AMTNR1BNQO2
SCHEMBL4430575 0.81 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL6211450 0.77 TACR1 (0.36) MTNR1AMTNR1BTACR1
SCHEMBL5089786 0.76 TACR1 (0.43) MTNR1AMTNR1BTACR1
SCHEMBL6193264 0.74 MTNR1A (0.46) MTNR1AMTNR1BNQO2TACR1
SCHEMBL5094795 0.72 CTSG (0.35) TACR1
SCHEMBL6193804 0.69 MTNR1A (0.44) MTNR1AMTNR1BNQO2
SCHEMBL4437298 0.69 MTNR1A (0.72) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517909-A2 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Suven Life Sciences Limited (IN) 2005-03-30 — — EP claimed
WO-2004000205-A2 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2003-12-31 — — WO claimed
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