SCHEMBL9250848

SCHEMBL9250848

NCCCN1CCC(=C(c2ccccc2)c2cccs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 1/20 0.44
P2RX7 Q99572 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
CYP2D6 P10635 1/20 0.43
SETD7 Q8WTS6 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ICMT O60725 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL9249824 0.85 SETD7 (0.57) OPRM1OPRD1OPRK1P2RX7SIGMAR1
SCHEMBL9253664 0.82 HTR1A (0.49) P2RX7DRD2DRD3GLA
SCHEMBL9252997 0.81 SETD7 (0.56) OPRM1OPRD1OPRK1P2RX7SIGMAR1
SCHEMBL11548124 0.81 KMT2A (0.55) OPRM1OPRD1OPRK1P2RX7CYP2D6
SCHEMBL9253052 0.80 SETD7 (0.54) OPRM1OPRD1OPRK1P2RX7SIGMAR1
SCHEMBL9256632 0.80 SETD7 (0.54) OPRM1OPRD1OPRK1P2RX7SIGMAR1
Hydrochloric Acid SCHEMBL11541436 0.80 KMT2A (0.54) OPRM1OPRD1OPRK1P2RX7CYP2D6
SCHEMBL9053981 0.78 KDM4E (0.42) OPRM1OPRD1OPRK1P2RX7SIGMAR1
SCHEMBL11545203 0.78 KMT2A (0.65) OPRM1OPRD1OPRK1CYP2D6SETD7
SCHEMBL9246640 0.76 SETD7 (0.61) OPRM1OPRD1OPRK1P2RX7SIGMAR1

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 3 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
CN-1058780-A Has the active thiazolidine carboxylic acid amides derivative of anti-allergy, their preparation and application SANKYO CO (JP) 1992-02-19 CN 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