SCHEMBL7702409

SCHEMBL7702409

CNC(=O)CCc1cccc(S)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MTNR1A P48039 2/20 0.42
PCNA P12004 1/20 0.42
HTT P42858 1/20 0.41
HDAC1 Q13547 1/20 0.41
P2RX7 Q99572 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
PTPN1 P18031 1/20 0.40
ALOX15 P16050 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL7702404 0.83 MAPT (0.45) MAPTGAAHDAC2HDAC8HDAC6
SCHEMBL14724832 0.81 MEN1 (0.53) FFAR1MAPTGAAHDAC2HDAC8
SCHEMBL16015432 0.81 MAPT (0.48) FFAR1MAPTGAAHDAC2HDAC8
SCHEMBL19540907 0.81 MTNR1A (0.48) FFAR1MAPTGAAHDAC2HDAC8
SCHEMBL5748661 0.80 SIRT2 (0.51) MAPTHDAC6CYP4F2CYP4A11HTT
SCHEMBL30559640 0.80 TAAR1 (0.57) FFAR1MAPTGAAHDAC2HDAC8
SCHEMBL14548815 0.80 MAOA (0.50) FFAR1MAPTGAAHDAC2HDAC8
SCHEMBL19182347 0.80 FFAR1 (0.49) FFAR1MAPTGAAHDAC2HDAC8
SCHEMBL8021984 0.80 TAAR1 (0.57) FFAR1MAPTGAAHDAC6HDAC1
SCHEMBL20109375 0.80 FFAR1 (0.46) FFAR1MAPTGAAHDAC2HDAC8

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
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 WO disclosed
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 EP disclosed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 WO disclosed