SCHEMBL27911963

SCHEMBL27911963

[c]1ccccc1-c1cnc(C2CCNCC2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP4K3 Q8IVH8 3/20 0.42
HPGDS O60760 2/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR2C P28335 3/20 0.36
HTR1A P08908 5/20 0.34
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MLYCD O95822 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL28337315 0.90 CHRNB2 (0.39) CHRNB2CHRNA4MAP4K3NPC1RAB9A
SCHEMBL4677044 0.79 CHRNB2 (0.53) CHRNB2CHRNA4MEN1KMT2AMAP4K3
SCHEMBL12879439 0.74 CHRNB2 (0.48) CHRNB2CHRNA4MEN1KMT2AMAP4K3
SCHEMBL17151793 0.70 MAP4K3 (0.48) CHRNB2CHRNA4MAP4K3TLR9TLR8
SCHEMBL27742532 0.69 CHRNB2 (0.50) CHRNB2CHRNA4MAP4K3TLR9TLR8
SCHEMBL20809193 0.69 CHRNB2 (0.46) CHRNB2CHRNA4MEN1KMT2AMAP4K3
Hydrochloric Acid SCHEMBL20135187 0.68 CHRNB2 (0.46) CHRNB2CHRNA4MEN1KMT2AMAP4K3
SCHEMBL29786817 0.66 KDR (0.46) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL14314252 0.66 MEN1 (0.42) CHRNB2CHRNA4MEN1KMT2AMAP4K3
SCHEMBL17578452 0.66 TLR9 (0.47) CHRNB2CHRNA4MAP4K3TLR9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 CN claimed
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 CN disclosed