SCHEMBL6997653

SCHEMBL6997653

COc1ccc2c(n1)c(CCNC(=O)Oc1ccco1)c1n2Cc2ccccc2-1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 20/20 0.49
▸ MTNR1B P49286 20/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7000349 0.90 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL5368769 0.86 MTNR1A (0.50) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL5361550 0.84 MTNR1A (0.67) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL7004573 0.83 MTNR1A (0.40) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL5367094 0.82 MTNR1A (0.55) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL5369933 0.82 MTNR1A (0.54) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL5371034 0.81 MTNR1A (0.69) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL6995494 0.81 MTNR1A (0.39) MTNR1AMTNR1BMAPT
SCHEMBL7000833 0.80 MTNR1A (0.38) MTNR1AMTNR1B
SCHEMBL18661751 0.79 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092717-B1 Polycyclic azaindole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-08 — — EP claimed
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