SCHEMBL23201648

SCHEMBL23201648

CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(-c2cccc(F)c2F)cc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 15/20 0.72
P2RX7 Q99572 1/20 0.38
LIPC P11150 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
LPL P06858 1/20 0.38
RORC P51449 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL31188834 0.92 MC2R (0.71) MC2RP2RX7MRGPRX4
SCHEMBL21701026 0.92 MC2R (0.71) MC2RP2RX7MRGPRX4
SCHEMBL31113398 0.89 MC2R (0.91) MC2RP2RX7MRGPRX4
SCHEMBL21700793 0.89 MC2R (0.91) MC2RP2RX7MRGPRX4
SCHEMBL21700905 0.84 MC2R (0.61) MC2RLIPCLIPGLPL
SCHEMBL21700680 0.84 MC2R (1.00) MC2RMRGPRX4
SCHEMBL21700838 0.83 MC2R (0.88) MC2RP2RX7
SCHEMBL21700840 0.83 MC2R (0.88) MC2RP2RX7
SCHEMBL21700797 0.83 MC2R (1.00) MC2RRORCMRGPRX4
SCHEMBL21700604 0.81 MC2R (0.60) MC2RP2RX7MRGPRX4

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