SCHEMBL3474884

SCHEMBL3474884

[CH2]CCC(C#N)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
OPRM1 P35372 1/20 0.36
LMNA P02545 1/20 0.33
DNM1 Q05193 2/20 0.32
FDPS P14324 4/20 0.31
THRB P10828 1/20 0.30
GPR84 Q9NQS5 3/20 0.30
SPHK1 Q9NYA1 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL6050145 0.98 TSHR (0.37) TSHROPRM1LMNADNM1FDPS
SCHEMBL3428498 0.93 TSHR (0.40) TSHRDNM1
SCHEMBL6050196 0.89 TSHR (0.37) TSHROPRM1LMNADNM1FDPS
SCHEMBL29102703 0.89 TSHR (0.37) TSHROPRM1LMNADNM1FDPS
SCHEMBL1131040 0.88 TSHR (0.48) TSHROPRM1LMNADNM1FDPS
SCHEMBL3429100 0.86
SCHEMBL24044418 0.85 TSHR (0.46) TSHROPRM1LMNADNM1FDPS
SCHEMBL12844942 0.85 TSHR (0.46) TSHROPRM1LMNADNM1FDPS
SCHEMBL4745188 0.85 TSHR (0.46) TSHROPRM1LMNADNM1FDPS
SCHEMBL366647 0.85 TSHR (0.46) TSHROPRM1LMNADNM1FDPS

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
WO-2010142836-A1 SYNTHESIS OF TTX INTERMEDIATES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2010-12-16 WO disclosed