SCHEMBL4405547

SCHEMBL4405547

COc1ccc2ccc3c(c2c1)C1CC3C2C3C=CC(C3)C12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.42
MTNR1B P49286 8/20 0.42
HTR2C P28335 7/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 1/20 0.36
DPP4 P27487 6/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4405582 0.92 MTNR1A (0.39) MTNR1AMTNR1BHTR2CHTR2AHTR2B
SCHEMBL4402570 0.91 HTR2A (0.40) MTNR1AMTNR1BHTR2CHTR2AHTR2B
SCHEMBL4408136 0.84 HTR2A (0.38) MTNR1AMTNR1BHTR2CHTR2AHTR2B
SCHEMBL4745713 0.76 CYP2A6 (0.33)
SCHEMBL4401578 0.73 HTR2A (0.36) MTNR1AMTNR1BHTR2CHTR2AHTR2B
SCHEMBL4402559 0.73 MTNR1A (0.43) MTNR1AMTNR1BHTR2CHTR2AHTR2B
SCHEMBL4401575 0.71 MTNR1A (0.37) MTNR1AMTNR1BDPP4GAA
SCHEMBL4402553 0.71 MTNR1A (0.39) MTNR1AMTNR1BHTR2CGAA
SCHEMBL4405529 0.69 MTNR1A (0.45) MTNR1AMTNR1BHTR2CGAA
SCHEMBL4438927 0.69 CYP2A6 (0.30)

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
US-8877422-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-04 US disclosed
US-20120108071-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed