SCHEMBL9253052

SCHEMBL9253052

NCCCCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.54
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
SIGMAR1 Q99720 2/20 0.53
P2RX7 Q99572 1/20 0.52
CYP2D6 P10635 1/20 0.46

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
SCHEMBL9256632 1.00 SETD7 (0.54) SETD7OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL9252997 0.98 SETD7 (0.56) SETD7OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL9249824 0.94 SETD7 (0.57) SETD7OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL9246640 0.87 SETD7 (0.61) SETD7OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL13904314 0.82 SIGMAR1 (0.59) SETD7OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL9253379 0.81 SETD7 (0.57) SETD7OPRM1OPRD1OPRK1P2RX7
SCHEMBL9250439 0.81 OPRD1 (0.50) SETD7OPRM1OPRD1OPRK1P2RX7
SCHEMBL9250848 0.80 OPRM1 (0.44) SETD7OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL9253928 0.79 SETD7 (0.51) SETD7OPRM1OPRD1OPRK1P2RX7
SCHEMBL9235468 0.79 SETD7 (0.62) SETD7OPRM1OPRD1OPRK1P2RX7

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