SCHEMBL9253636

SCHEMBL9253636

Clc1ccccc1C(c1ccccc1Cl)C1CC[N]CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.38
OPRM1 P35372 11/20 0.37
CYP2C19 P33261 2/20 0.36
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
CYP19A1 P11511 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
TSHR P16473 2/20 0.33
HIF1A Q16665 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL9253500 0.90 IDO1 (0.40) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL9256092 0.78 SLC6A2 (0.40) OPRL1OPRM1OPRD1OPRK1ADRB2
SCHEMBL9257472 0.78 MCOLN2 (0.36) IDO1TDO2CYP2C9CYP3A4MAPT
SCHEMBL9257877 0.75 CA1 (0.40) IDO1TDO2ADRA2ASLC6A2SLC6A4
SCHEMBL9252381 0.74 IDO1 (0.41) OPRL1OPRM1CYP2C19OPRD1OPRK1
SCHEMBL4674804 0.72 IDO1 (0.39) OPRD1CYP19A1IDO1L3MBTL1
SCHEMBL9253506 0.71 IDO1 (0.41) OPRL1OPRM1OPRD1OPRK1TSHR
SCHEMBL9257208 0.69 IDO1 (0.51) OPRM1OPRD1OPRK1TSHRIDO1
SCHEMBL11681638 0.69 OPRM1 (0.41) OPRL1OPRM1CYP2C19OPRD1OPRK1
SCHEMBL9253640 0.69 SLC6A4 (0.40) CYP19A1ADRB2TSHRHIF1ALMNA

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