SCHEMBL29933156

SCHEMBL29933156

CC(F)(F)C1CCC(c2cccc(O)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.44
▸ OPRD1 P41143 3/20 0.44
▸ DRD2 P14416 4/20 0.43
▸ DRD3 P35462 4/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ DRD4 P21917 3/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ PRCP P42785 1/20 0.41
▸ EBP Q15125 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ DRD5 P21918 1/20 0.41
▸ OPRL1 P41146 1/20 0.40

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
SCHEMBL23364686 1.00 OPRM1 (0.44) OPRM1OPRD1DRD2DRD3HTR2A
SCHEMBL29932789 0.78 OPRL1 (0.46) OPRM1OPRD1DRD2DRD3HTR2A
SCHEMBL23379975 0.78 OPRL1 (0.46) OPRM1OPRD1DRD2DRD3HTR2A
SCHEMBL23364743 0.78 OPRL1 (0.46) OPRM1OPRD1DRD2DRD3HTR2A
SCHEMBL29427014 0.76 DRD2 (0.59) DRD2DRD3SIGMAR1DRD4NFKB1
SCHEMBL1608042 0.76 DRD2 (0.59) DRD2DRD3SIGMAR1DRD4NFKB1
SCHEMBL23364665 0.75 KDM1A (0.46) —
SCHEMBL29932918 0.75 KDM1A (0.46) —
SCHEMBL23364621 0.74 DRD2 (0.54) DRD2DRD3HTR2CDRD4DRD1
SCHEMBL23364760 0.73 LPL (0.37) —

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
EP-4058439-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY Genzyme Corporation (US) 2022-09-21 — — EP disclosed
CN-115003659-A 5-membered heteroaryl amino sulfonamides for the treatment of conditions mediated by a deficiency in CFTR activity 健赞公司 2022-09-02 — — CN disclosed
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