SCHEMBL29465809

SCHEMBL29465809

COC(=O)c1ccc2ncn(CCCCCO)c2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ BRD4 O60885 1/20 0.45
▸ FGFR1 P11362 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP4A11 Q02928 3/20 0.44
▸ CYP4F2 P78329 2/20 0.44
▸ HDAC1 Q13547 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PLA2G4A P47712 1/20 0.41

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
SCHEMBL30174389 0.90 PLA2G4A (0.50) MTNR1AMTNR1BBRD4FGFR1POLB
SCHEMBL17263071 0.90 MTNR1A (0.51) MTNR1AMTNR1BBRD4FGFR1POLB
SCHEMBL17103068 0.89 BRD4 (0.48) MTNR1AMTNR1BBRD4FGFR1POLB
SCHEMBL2935051 0.86 MTNR1A (0.48) MTNR1AMTNR1BBRD4FGFR1POLB
SCHEMBL29649186 0.85 FGFR1 (0.50) MTNR1AMTNR1BFGFR1MAPTHDAC1
SCHEMBL29737945 0.84 KMT2A (0.55) MTNR1AMTNR1BBRD4FGFR1POLB
SCHEMBL28754371 0.84 KMT2A (0.55) MTNR1AMTNR1BBRD4FGFR1POLB
SCHEMBL17263019 0.82 KDM4E (0.51) MTNR1AMTNR1BBRD4FGFR1POLB
SCHEMBL16406499 0.80 MTNR1A (0.60) MTNR1AMTNR1BBRD4MAPTMAPK1
SCHEMBL1307034 0.80 FGFR1 (0.57) MTNR1AMTNR1BBRD4FGFR1POLB

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-114057771-A Macrocyclic compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2022-02-18 — — CN disclosed
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