SCHEMBL8701661

SCHEMBL8701661

Cc1nc(Cl)c(Cl)n1CCC1CCCCN1CCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 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
SCHEMBL8696372 0.80 NPC1 (0.52) MEN1KMT2AALDH1A1NPSR1
SCHEMBL8542109 0.80 HRH3 (0.51) MEN1KMT2ATSHR
SCHEMBL8701656 0.77 SIGMAR1 (0.39) TSHR
SCHEMBL8701671 0.77 ADRA2A (0.42) MEN1KMT2A
SCHEMBL9820990 0.75 SIGMAR1 (0.47)
SCHEMBL8698787 0.74 MEN1 (0.42) MEN1KMT2AALDH1A1NPSR1HSD17B10
SCHEMBL8699170 0.74 SIGMAR1 (0.40) MEN1KMT2AALDH1A1NPSR1HSD17B10
SCHEMBL8695270 0.74 ADRA2A (0.45) MEN1KMT2AALDH1A1NPSR1HSD17B10
SCHEMBL4339380 0.74 SIGMAR1 (0.54)
SCHEMBL5888846 0.73

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