SCHEMBL30996520

SCHEMBL30996520

Cc1nc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1nc(C(F)F)n(C2CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.53
▸ KCNH2 Q12809 4/20 0.51
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ BTK Q06187 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38
▸ SYK P43405 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
SCHEMBL31421648 1.00 MC4R (0.53) MC4RKCNH2HDAC4HDAC6IDH1
SCHEMBL31421655 0.90 MC4R (0.64) MC4RKCNH2HDAC4HDAC6IDH1
SCHEMBL30996531 0.90 MC4R (0.64) MC4RKCNH2HDAC4HDAC6IDH1
SCHEMBL25437281 0.88 MC4R (0.55) MC4RKCNH2BTKMAPT
SCHEMBL31421667 0.88 MC4R (0.63) MC4RKCNH2HDAC4HDAC6IDH1
SCHEMBL31421691 0.82 MC4R (0.48) MC4RKCNH2HDAC4HDAC6IDH1
SCHEMBL31421659 0.81 MC4R (0.63) MC4RKCNH2HDAC4HDAC6IDH1
SCHEMBL31421671 0.81 MC4R (0.69) MC4RKCNH2HDAC4HDAC6IDH1
SCHEMBL30458036 0.81 MC4R (0.57) MC4RKCNH2IDH1BTKUSP30
SCHEMBL30833316 0.81 MC4R (0.57) MC4RKCNH2IDH1BTKUSP30

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
CN-118369317-A Melanocortin 4 receptor antagonists and uses thereof 辉瑞大药厂 2024-07-19 — — CN disclosed
Send feedback