SCHEMBL9253700

SCHEMBL9253700

c1ccc(C(=C2CCNCC2)c2cccs2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.62
OPRD1 P41143 2/20 0.62
ICMT O60725 2/20 0.51
HPGDS O60760 1/20 0.46
OPRK1 P41145 1/20 0.46
RAB9A P51151 4/20 0.41
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
DAO P14920 1/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL11310471 0.88 OPRM1 (0.58) OPRM1OPRD1ICMTHPGDSOPRK1
SCHEMBL10600565 0.86 OPRD1 (0.62) OPRM1OPRD1ICMTOPRK1RAB9A
SCHEMBL2457390 0.80 OPRD1 (0.61) OPRM1OPRD1OPRK1CYP2D6LMNA
Bromide SCHEMBL10598951 0.79 OPRD1 (0.59) OPRM1OPRD1OPRK1CYP2D6LMNA
Hydrochloric Acid SCHEMBL7647391 0.79 OPRD1 (0.59) OPRM1OPRD1OPRK1CYP2D6LMNA
SCHEMBL4932269 0.78 OPRD1 (1.00) OPRM1OPRD1OPRK1KCNH2
SCHEMBL8366194 0.74 HPGD (0.44) OPRM1OPRD1ICMTHPGDSRAB9A
SCHEMBL9434960 0.73 OPRD1 (0.57) OPRM1OPRD1OPRK1CYP2D6LMNA
SCHEMBL8314711 0.71 OPRD1 (0.58) OPRM1OPRD1OPRK1CYP2D6LMNA
SCHEMBL8316576 0.71 OPRD1 (0.60) OPRM1OPRD1OPRK1RAB9ACYP2D6

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