SCHEMBL4028031

SCHEMBL4028031

COc1cc(OC)nc(NCCCn2c3c(c4cc(C#N)ccc42)CCCC3)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 13/20 1.00
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
RORC P51449 1/20 0.41
HTR6 P50406 2/20 0.40
HRH1 P35367 1/20 0.40
HSD17B10 Q99714 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL4024370 0.86 SCARB1 (0.75) SCARB1MTNR1AMTNR1BHTR6HSD17B10
SCHEMBL13747265 0.83 SCARB1 (0.73) SCARB1MTNR1AMTNR1BHTR6HSD17B10
SCHEMBL4192256 0.83 SCARB1 (0.72) SCARB1MTNR1AMTNR1BRORCHTR6
SCHEMBL4023636 0.83 SCARB1 (0.72) SCARB1MTNR1AMTNR1BRORCHTR6
SCHEMBL13746688 0.83 SCARB1 (1.00) SCARB1MTNR1AMTNR1B
SCHEMBL4027663 0.82 SCARB1 (0.71) SCARB1MTNR1AMTNR1BRORCHTR6
SCHEMBL4197771 0.81 SCARB1 (0.70) SCARB1MTNR1AMTNR1BRORCHTR6
SCHEMBL13746563 0.80 SCARB1 (0.69) SCARB1MTNR1AMTNR1BRORCHTR6
SCHEMBL4032600 0.80 SCARB1 (0.68) SCARB1MTNR1AMTNR1BRORCHTR6
SCHEMBL4031974 0.80 SCARB1 (0.68) SCARB1MTNR1AMTNR1BHSD17B10

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
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed