SCHEMBL23201621

SCHEMBL23201621

CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CCCC3)C[C@H]2CC)c(C(=O)NCCC2(F)CN(C)C2)n1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 19/20 0.77
HTR1B P28222 1/20 0.57
PDE1B Q01064 1/20 0.34

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
SCHEMBL21700505 0.94 MC2R (0.77) MC2RHTR1BPDE1B
SCHEMBL21700616 0.90 MC2R (0.78) MC2RHTR1B
SCHEMBL21700542 0.89 MC2R (0.81) MC2RHTR1B
SCHEMBL21700553 0.89 MC2R (0.93) MC2RHTR1BPDE1B
SCHEMBL21700495 0.89 MC2R (0.75) MC2RHTR1BPDE1B
SCHEMBL21700811 0.88 MC2R (0.73) MC2RHTR1B
SCHEMBL21700490 0.88 MC2R (0.78) MC2RHTR1BPDE1B
SCHEMBL21700953 0.88 MC2R (0.78) MC2RHTR1BPDE1B
SCHEMBL21700473 0.87 MC2R (0.78) MC2RHTR1BPDE1B
SCHEMBL21700949 0.87 MC2R (1.00) 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 claimed