SCHEMBL31482174

SCHEMBL31482174

CN(Cc1ccccn1)c1ncc(C(=O)N2CCC(N3CCCC(OCC(F)(F)F)C3)CC2)s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 6/20 0.40
▸ LPL P06858 1/20 0.37
▸ LIPC P11150 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ SPR P35270 2/20 0.35
▸ PROKR1 Q8TCW9 2/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL31482209 0.91 ADRA1A (0.41) ADRA1AALDH1A1KMT2AL3MBTL3L3MBTL1
SCHEMBL31482143 0.90 KMT2A (0.45) ADRA1AALDH1A1KMT2AL3MBTL3L3MBTL1
SCHEMBL31482083 0.87 ADRA1A (0.43) ADRA1AALDH1A1KMT2AL3MBTL3L3MBTL1
SCHEMBL31482170 0.86 ADRA2C (0.43) ADRA1AALDH1A1KMT2AL3MBTL3L3MBTL1
SCHEMBL31482260 0.82 ADRA1A (0.46) ADRA1AALDH1A1KMT2A
SCHEMBL31482259 0.82 ADRA1A (0.46) ADRA1AALDH1A1KMT2A
SCHEMBL31482210 0.79 ALDH1A1 (0.38) ADRA1AALDH1A1KMT2AL3MBTL3L3MBTL1
SCHEMBL31482193 0.70 BCHE (0.41) ADRA1AKMT2AL3MBTL3L3MBTL1
SCHEMBL31482153 0.67 KDM4E (0.44) ALDH1A1KMT2A
SCHEMBL31482107 0.67 MLYCD (0.44) ALDH1A1KMT2A

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-2025068514-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMINDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2025-04-03 — — WO disclosed
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