SCHEMBL6193835

SCHEMBL6193835

COc1ccc2c(c1)c(CCNC(C)=O)c1n2C(=O)c2ccccc2-1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 19/20 0.66
▸ MTNR1B P49286 19/20 0.66
▸ NQO2 P16083 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL6195167 0.83 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL6211448 0.83 MTNR1A (0.48) MTNR1AMTNR1BNQO2
SCHEMBL6194688 0.83 MTNR1A (0.50) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL5093053 0.81 HTR6 (0.64) —
SCHEMBL29134983 0.77 MTNR1A (0.55) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL30704310 0.77 MTNR1A (0.55) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL6193264 0.77 MTNR1A (0.46) MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL6193839 0.76 MTNR1A (0.46) MTNR1AMTNR1BKDM4EMAPT
SCHEMBL28394719 0.75 GRIK2 (0.50) KDM4EALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL8688610 0.73 MTNR1A (0.75) MTNR1AMTNR1BNQO2CYP1A2CYP3A4

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 4 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
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 disclosed
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 disclosed
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