SCHEMBL30458637

SCHEMBL30458637

CCCCOC(=O)N1CC[C@H](Nc2ccc(Br)c(C)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 5/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ NOS1 P29475 4/20 0.44
▸ NOS3 P29474 2/20 0.44
▸ MC4R P32245 4/20 0.42
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ P2RY12 Q9H244 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 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
SCHEMBL23292322 0.82 NOS2 (0.52) NOS2MAP4K4NOS1NOS3POLB
SCHEMBL31634686 0.81 USP30 (0.48) MAPT
SCHEMBL30948976 0.81 USP30 (0.48) MAPT
SCHEMBL31421677 0.81 USP30 (0.48) MAPT
SCHEMBL25225248 0.81 MC4R (0.46) NOS2MAP4K4MC4RKCNH2LMNA
SCHEMBL23292432 0.79 CCNK (0.51) NOS2MAP4K4NOS1NOS3POLB
SCHEMBL30457945 0.78 HDAC4 (0.47) MAP4K4MC4RKCNH2
SCHEMBL30458624 0.78 MC4R (0.60) NOS2MAP4K4NOS1NOS3MC4R
SCHEMBL23292267 0.77 CYP3A4 (0.55) NOS2NOS1NOS3
SCHEMBL18613893 0.76 KDM4E (0.49) NOS2MAPTLMNA

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-4444708-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2024-10-16 — — EP disclosed
WO-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 — — WO disclosed
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