SCHEMBL25389487

SCHEMBL25389487

Cc1ccnc(N2CCC3(CC2)CC3)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP2C9 P11712 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KIF18A Q8NI77 4/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ USP2 O75604 1/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C19 P33261 4/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL16338926 0.81 SCN10A (0.35) KMT2AALDH1A1KIF18ASCN10AMAPK1
SCHEMBL31214575 0.78 PROKR1 (0.36) KMT2ASCN10A
SCHEMBL31344078 0.77 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HSD17B10HPGD
SCHEMBL31344082 0.77 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HSD17B10HPGD
SCHEMBL31343943 0.75 SCN10A (0.45) ALDH1A1CYP2C9KIF18ASCN10ACYP3A4
SCHEMBL31590723 0.74 USP2 (0.43) KMT2AMEN1ALDH1A1HSD17B10HPGD
SCHEMBL12983252 0.72 PRKAB2 (0.41) KMT2A
SCHEMBL12983927 0.70 ADORA2A (0.46) KIF18A
SCHEMBL12984767 0.70 ADORA2A (0.46) KIF18A
SCHEMBL12983593 0.70 CHRM4 (0.39) MAPK1

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-2023150201-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2023-08-10 — — WO disclosed
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