SCHEMBL31482093

SCHEMBL31482093

O=C(c1cnc(Br)s1)N1CCC(N2CCCC(c3ccccc3)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL3 Q96JM7 4/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.45
▸ AGTR2 P50052 9/20 0.44
▸ PROKR1 Q8TCW9 1/20 0.44
▸ TP53BP1 Q12888 1/20 0.43

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
SCHEMBL31482130 0.81 ADRA1A (0.56) L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL31482115 0.81 ADRA1A (0.55) L3MBTL3L3MBTL1
SCHEMBL31482182 0.77 ADRA1A (0.49) L3MBTL3L3MBTL1
SCHEMBL31482148 0.76 PROKR1 (0.38) NPC1MAPTRAB9ASMN1; SMN2L3MBTL3
SCHEMBL31482120 0.76 L3MBTL3 (0.44) L3MBTL3L3MBTL1
SCHEMBL31482152 0.76 ADRA1A (0.60) L3MBTL3L3MBTL1
SCHEMBL31482196 0.75 ADRA1A (0.57) L3MBTL3L3MBTL1
SCHEMBL31482146 0.75 ADRA2C (0.51) L3MBTL3L3MBTL1
SCHEMBL1659661 0.71 L3MBTL3 (0.41) NPC1RAB9AL3MBTL3L3MBTL1
SCHEMBL1658448 0.71 HPGD (0.57) NPC1MAPTRAB9AL3MBTL3L3MBTL1

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
Send feedback