SCHEMBL9251253

SCHEMBL9251253

c1ccc(C(c2cccnc2)N2CCNCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
SLC1A3 P43003 1/20 0.62
SLC1A2 P43004 1/20 0.62
SLC1A1 P43005 1/20 0.62
OPRD1 P41143 10/20 0.60
OPRM1 P35372 1/20 0.60
OPRK1 P41145 1/20 0.60
OPRL1 P41146 1/20 0.60
KCNA5 P22460 1/20 0.59
KCNH2 Q12809 1/20 0.59
SLC6A4 P31645 3/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A3 Q01959 1/20 0.55
USP2 O75604 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP3A5 P20815 1/20 0.52
CYP2D6 P10635 1/20 0.50

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
SCHEMBL15093686 0.95 MEN1 (0.62) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7103066 0.88 MEN1 (0.55) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL5549076 0.85 MEN1 (0.79) MEN1KMT2AOPRD1OPRM1SLC6A4
SCHEMBL31023820 0.85 OPRD1 (0.52) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL31023651 0.85 CYP3A4 (0.57) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL219432 0.85 MEN1 (1.00) MEN1KMT2AOPRD1OPRM1KCNH2
SCHEMBL2794662 0.85 MEN1 (1.00) MEN1KMT2AOPRD1OPRM1KCNH2
Hydrochloric Acid SCHEMBL7006476 0.83 MEN1 (0.96) MEN1KMT2AOPRD1OPRM1KCNH2
Hydrochloric Acid SCHEMBL11456225 0.83 MEN1 (0.96) MEN1KMT2AOPRD1OPRM1KCNH2
Piperazine SCHEMBL28229145 0.83 MEN1 (0.96) MEN1KMT2AOPRD1OPRM1KCNH2

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
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed