SCHEMBL30837261

SCHEMBL30837261

CC(=O)c1ccc(-c2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
GFER P55789 1/20 0.56
MAPT P10636 9/20 0.55
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
TSHR P16473 2/20 0.54
ALOX15 P16050 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.54
STAT1 P42224 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL702430 0.94 NPC1 (0.61) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13070319 0.94 NPC1 (0.61) NPC1RAB9ACYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL9037135 0.93 NPC1 (0.59) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL909633 0.93 MAPT (0.62) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL15156349 0.89 MAPT (0.62) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL18806574 0.85 NPC1 (0.54) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL18806564 0.85 NPC1 (0.54) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL15801114 0.85 MAPT (0.71) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL17669252 0.85 MAPT (0.71) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL5950454 0.83 MAPT (0.53) NPC1RAB9ACYP1A2CYP3A4CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573086-A1 METHANOGEN INHIBITORS Agrizeronz Limited Partnership (NZ) 2025-06-25 EP disclosed
CN-119998272-A Methanogen inhibitors 阿格里泽伦茨有限合伙公司 2025-05-13 CN disclosed
WO-2024039250-A1 METHANOGEN INHIBITORS PASTORAL GREENHOUSE GAS RESEARCH LIMITED (NZ) 2024-02-22 WO disclosed