SCHEMBL29932789

SCHEMBL29932789

CC(F)(F)CC1CCC(c2cccc(O)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 1/20 0.46
▸ OPRM1 P35372 3/20 0.45
▸ OPRD1 P41143 3/20 0.45
▸ DRD2 P14416 4/20 0.44
▸ DRD3 P35462 5/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ DRD4 P21917 4/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ DRD1 P21728 2/20 0.41
▸ DRD5 P21918 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ PRCP P42785 1/20 0.41
▸ EBP Q15125 1/20 0.41

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
SCHEMBL23364743 1.00 OPRL1 (0.46) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL23379975 0.92 OPRL1 (0.46) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL29933156 0.78 OPRM1 (0.44) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL23364686 0.78 OPRM1 (0.44) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL23364785 0.78 KDM1A (0.44) —
SCHEMBL29932780 0.78 KDM1A (0.44) —
SCHEMBL23364649 0.76 DRD2 (0.53) DRD2DRD3DRD4DRD1DRD5
SCHEMBL23364655 0.75 LPL (0.40) —
SCHEMBL23380182 0.74 OPRL1 (0.45) OPRL1OPRM1OPRD1DRD2DRD3
SCHEMBL1608042 0.73 DRD2 (0.59) OPRL1DRD2DRD3DRD4SIGMAR1

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-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
Send feedback