SCHEMBL29963552

SCHEMBL29963552

CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C[C@H]2CC)c(OCCNC)n1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 19/20 0.83
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 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
SCHEMBL24918828 1.00 MC2R (0.83) MC2RMEN1NPC1MAPTKMT2A
Formic Acid SCHEMBL29963568 0.97 MC2R (0.79) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL29963567 0.93 MC2R (0.72) MC2R
SCHEMBL29963050 0.93 MC2R (0.73) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL29963678 0.91 MC2R (0.69) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL21700598 0.91 MC2R (1.00) MC2R
SCHEMBL21725661 0.91 MC2R (1.00) MC2R
SCHEMBL21700652 0.90 MC2R (0.78) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL21700844 0.89 MC2R (0.81) MC2RMEN1NPC1MAPTKMT2A
SCHEMBL29963537 0.88 MC2R (0.64) MC2R

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-4054583-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2022-09-14 EP claimed
EP-4054583-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2022-09-14 EP disclosed