SCHEMBL30948970

SCHEMBL30948970

Cc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)ccc1-c1nccc(C(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.36
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ SYK P43405 2/20 0.34
▸ EIF2AK4 Q9P2K8 2/20 0.34
▸ TBK1 Q9UHD2 2/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ IDH1 O75874 2/20 0.33
▸ IDH2 P48735 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ NAMPT P43490 3/20 0.32
▸ MMP12 P39900 1/20 0.32

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
SCHEMBL31634715 1.00 MC4R (0.36) MC4RDDB1CRBNSYKEIF2AK4
SCHEMBL31634709 0.88 MC4R (0.40) MC4RDDB1CRBNSYKEIF2AK4
SCHEMBL31634713 0.85 GPR119 (0.36) DDB1CRBNSYKEIF2AK4TBK1
SCHEMBL31634663 0.84 MC4R (0.47) MC4RDDB1CRBNCCNT1KCNH2
SCHEMBL30948968 0.82 MC4R (0.46) MC4RDDB1CRBNKCNH2MMP12
SCHEMBL30948967 0.82 MC4R (0.46) MC4RDDB1CRBNKCNH2MMP12
SCHEMBL31634680 0.82 MC4R (0.46) MC4RDDB1CRBNKCNH2MMP12
SCHEMBL30948963 0.81 MC4R (0.38) MC4RDDB1CRBNKCNH2IDH1
SCHEMBL31634661 0.81 MC4R (0.38) MC4RDDB1CRBNKCNH2IDH1
SCHEMBL31634671 0.78 KAT8 (0.38) MC4RDDB1CRBNSYKCCNT1

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
WO-2024104452-A1 MC4R ANTAGONIST COMPOUND, PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL USE THEREOF 长春金赛药业有限责任公司 2024-05-23 — — WO disclosed
Send feedback