SCHEMBL28111888

SCHEMBL28111888

CCCCCCCCCCC(Cl)C#N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.39
DNM1 Q05193 3/20 0.39
THRB P10828 1/20 0.38
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FDPS P14324 3/20 0.35
SPHK1 Q9NYA1 1/20 0.35
FFAR1 O14842 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL10911083 1.00 TSHR (0.40) TSHRLMNADNM1THRBOPRM1
SCHEMBL7970586 1.00 TSHR (0.40) TSHRLMNADNM1THRBOPRM1
SCHEMBL11350062 1.00 TSHR (0.40) TSHRLMNADNM1THRBOPRM1
SCHEMBL11352307 1.00 TSHR (0.40) TSHRLMNADNM1THRBOPRM1
SCHEMBL11344484 0.98
SCHEMBL10911084 0.90
SCHEMBL27336252 0.88
SCHEMBL3457396 0.79
SCHEMBL10461689 0.77 TSHR (0.37) TSHRLMNADNM1THRBOPRM1
SCHEMBL8333291 0.77 TSHR (0.37) TSHRLMNADNM1THRBOPRM1

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
CN-103804295-B The method preparing amide compound 宇部兴产株式会社 2016-11-23 CN disclosed