SCHEMBL8699588

SCHEMBL8699588

CCc1nccn1CCC1CCCCN1CCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRD1 P41143 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
SLC18A2 Q05940 1/20 0.39

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
SCHEMBL8701671 0.87 ADRA2A (0.42) MEN1KMT2ASIGMAR1SLC18A2
SCHEMBL8699391 0.84 SLC18A2 (0.41) SLC18A2
SCHEMBL8699125 0.84 ESR1 (0.42) ALDH1A1NPSR1HSD17B10MEN1KMT2A
SCHEMBL8701038 0.80 NPC1 (0.54) ALDH1A1NPSR1OPRD1MEN1NPC1
SCHEMBL8541698 0.80 HRH3 (0.54) SIGMAR1
SCHEMBL8695270 0.79 ADRA2A (0.45) ALDH1A1NPSR1HSD17B10OPRD1MEN1
SCHEMBL8699170 0.77 SIGMAR1 (0.40) ALDH1A1NPSR1HSD17B10OPRD1MEN1
SCHEMBL8699585 0.76 SIGMAR1 (0.38) ALDH1A1NPSR1HSD17B10SIGMAR1
SCHEMBL8542041 0.76 CYP19A1 (0.45)
Hydrochloric Acid SCHEMBL8698587 0.75 TBXAS1 (0.46)

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
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed