SCHEMBL8698787

SCHEMBL8698787

Cc1cn(CCC2CCCCN2CCCc2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
SLC18A2 Q05940 1/20 0.40
OPRD1 P41143 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL8695270 0.80 ADRA2A (0.45) MEN1KMT2ASIGMAR1SLC18A2OPRD1
SCHEMBL8542041 0.80 CYP19A1 (0.45)
SCHEMBL8699576 0.79 NPC1 (0.53) MEN1KMT2A
Hydrochloric Acid SCHEMBL8698587 0.79 TBXAS1 (0.46)
SCHEMBL8540740 0.79 HRH3 (0.53) SIGMAR1
SCHEMBL8699170 0.78 SIGMAR1 (0.40) MEN1KMT2ASIGMAR1SLC18A2OPRD1
SCHEMBL8701671 0.78 ADRA2A (0.42) MEN1KMT2ASIGMAR1SLC18A2
SCHEMBL8698471 0.77 HMOX1 (0.46) SIGMAR1
SCHEMBL9820990 0.76 SIGMAR1 (0.47) SIGMAR1SLC18A2
SCHEMBL4339380 0.76 SIGMAR1 (0.54) SIGMAR1

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