SCHEMBL10692856

SCHEMBL10692856

CCCCC(Cl)CCCCC#N

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
DNM1 Q05193 2/20 0.32
OPRM1 P35372 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 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
SCHEMBL11847368 0.85 TSHR (0.39) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL13451749 0.80 DNM1 (0.48) TSHRDNM1OPRM1ALDH1A1
SCHEMBL2854096 0.80 DNM1 (0.48) TSHRDNM1OPRM1ALDH1A1
SCHEMBL4540450 0.80 DNM1 (0.45) TSHRDNM1OPRM1CYP3A4ALDH1A1
SCHEMBL17970381 0.79 TSHR (0.59) TSHRDNM1CYP3A4ALDH1A1TDP1
SCHEMBL28613858 0.79 TSHR (0.59) TSHRDNM1OPRM1ALDH1A1TDP1
SCHEMBL27889472 0.79
SCHEMBL18107374 0.78 DNM1 (0.52) TSHRDNM1OPRM1ALDH1A1
SCHEMBL7140554 0.78 DNM1 (0.52) TSHRDNM1OPRM1ALDH1A1
SCHEMBL18107435 0.78 DNM1 (0.52) TSHRDNM1OPRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118480264-B Preparation method of high-salt material for purifying wastewater 杭州万得斯环保科技有限公司 2025-01-24 CN disclosed
US-4769482-A Cyano and thiocyano intermediates ELI LILLY AND COMPANY (US) 1988-09-06 US disclosed
EP-0108592-B1 LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1987-09-30 EP disclosed
US-4661505-A 4-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY) ALKANOIC ACIDS, TETRAZOLES, AND DERIVATIVES ELI LILLY AND COMPANY (US) 1987-04-28 US disclosed
US-4537924-A Quadratic acid amide derivatives, their use as stabilizers, and synthetic resins treated therewith CHEMISCHE WERKE HUELS, AG (DE) 1985-08-27 US disclosed
EP-0108592-A1 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1984-05-16 EP disclosed
US-3941827-A Preparation of halogenated nitriles MICHIGAN CHEMICAL CORPORATION (US) 1976-03-02 US disclosed