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Sugi Predict / Compounds / SCHEMBL23201616

SCHEMBL23201616

SCHEMBL23201616

CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(OC)nc3C(F)(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CNC[C@H]2CF)n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MC2R Q01718 20/20 0.62
▸ HTR1B P28222 1/20 0.45

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
SCHEMBL23201644 1.00 MC2R (0.62) MC2RHTR1B
SCHEMBL21700617 0.93 MC2R (0.64) MC2RHTR1B
SCHEMBL21700499 0.93 MC2R (0.64) MC2RHTR1B
SCHEMBL21700523 0.89 MC2R (0.78) MC2RHTR1B
SCHEMBL21700629 0.89 MC2R (0.64) MC2RHTR1B
SCHEMBL21700485 0.89 MC2R (0.64) MC2RHTR1B
SCHEMBL21700611 0.89 MC2R (0.72) MC2RHTR1B
SCHEMBL21700531 0.87 MC2R (0.77) MC2RHTR1B
SCHEMBL21700489 0.86 MC2R (0.78) MC2RHTR1B
SCHEMBL21700483 0.86 MC2R (0.64) MC2RHTR1B

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-3802500-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-04-14 — — EP disclosed