SCHEMBL31482148

SCHEMBL31482148

C[C@H](Nc1ncc(C(=O)N2CCC(N3CCCC(c4ccccc4)C3)CC2)s1)c1ncccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PROKR1 Q8TCW9 3/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ACKR3 P25106 2/20 0.37
▸ ADRA1A P35348 1/20 0.36
▸ AGTR2 P50052 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31482096 0.89 ADRA1A (0.46) ACKR3ADRA1A
SCHEMBL31482212 0.89 ADRA1A (0.46) ACKR3ADRA1A
SCHEMBL31482226 0.89 ADRA1A (0.46) ACKR3ADRA1A
SCHEMBL31482088 0.88 ACKR3 (0.39) MEN1KMT2AKDM4EACKR3ADRA1A
SCHEMBL31482207 0.88 ACKR3 (0.38) MEN1KMT2AKDM4EACKR3ADRA1A
SCHEMBL31482229 0.88 ACKR3 (0.38) MEN1KMT2AKDM4EACKR3ADRA1A
SCHEMBL31482113 0.87 ACKR3 (0.37) MEN1KMT2AACKR3ADRA1AL3MBTL3
SCHEMBL31482186 0.87 ADRA1A (0.38) MEN1KMT2AACKR3ADRA1AL3MBTL3
SCHEMBL31482199 0.86 ACKR3 (0.38) MEN1KMT2AACKR3ADRA1AL3MBTL3
SCHEMBL31482141 0.86 ACKR3 (0.37) MEN1KMT2AACKR3ADRA1AL3MBTL3

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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