SCHEMBL23201614

SCHEMBL23201614

CCOc1ccccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)C[C@@H]2CC)c(C(=O)NCCN)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC2R Q01718 17/20 1.00
CCR1 P32246 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL31188896 1.00 MC2R (1.00) MC2RCCR1LMNATSHRRAB9A
SCHEMBL21700871 1.00 MC2R (1.00) MC2RCCR1LMNATSHRRAB9A
SCHEMBL21700876 1.00 MC2R (1.00) MC2RCCR1LMNATSHRRAB9A
SCHEMBL21700831 0.91 MC2R (1.00) MC2RLMNASMN1; SMN2
SCHEMBL31188485 0.91 MC2R (1.00) MC2RLMNASMN1; SMN2
SCHEMBL21700771 0.91 MC2R (1.00) MC2RCCR1LMNATSHRRAB9A
SCHEMBL21701035 0.90 MC2R (0.84) MC2R
SCHEMBL21700856 0.87 MC2R (0.92) MC2RLMNASMN1; SMN2
SCHEMBL21700664 0.86 MC2R (0.76) MC2RLMNA
SCHEMBL31188558 0.86 MC2R (0.76) MC2RLMNA

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