SCHEMBL26846050

SCHEMBL26846050

CCN(CC(F)(F)F)C(=O)c1ccc(N2CCN(C=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.48
▸ OPRK1 P41145 3/20 0.48
▸ MLYCD O95822 3/20 0.45
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL26846169 0.92 OPRD1 (0.47) OPRD1OPRK1MLYCDLMNAHPGD
SCHEMBL24619969 0.79 GPR119 (0.53) LMNAALDH1A1MAPT
SCHEMBL8000805 0.72 MAPT (0.58) LMNAALDH1A1MAPT
SCHEMBL5208230 0.69 OPRD1 (0.54) OPRD1OPRK1MLYCDLMNAHPGD
SCHEMBL18359048 0.68 HDAC3 (0.57) MLYCDLMNAHPGDMAPT
SCHEMBL13632333 0.68 AKR1C3 (0.56) MLYCDMAPT
Hydrochloric Acid SCHEMBL6139939 0.68 OPRD1 (0.53) OPRD1OPRK1MLYCDLMNAHPGD
SCHEMBL24620104 0.67 CHRNA10 (0.47) —
SCHEMBL26682580 0.67 POLB (0.51) OPRD1OPRK1LMNAHPGDALDH1A1
SCHEMBL298844 0.66 ALDH1A1 (0.57) LMNAHPGDALDH1A1MAPT

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
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
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