SCHEMBL9253928

SCHEMBL9253928

N#CCCCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.51
OPRD1 P41143 4/20 0.51
OPRM1 P35372 3/20 0.51
OPRK1 P41145 3/20 0.51
P2RX7 Q99572 1/20 0.50
MAPT P10636 1/20 0.47
HTR7 P34969 1/20 0.43
KCNH2 Q12809 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
SCHEMBL9250439 0.99 OPRD1 (0.50) SETD7OPRD1OPRM1OPRK1P2RX7
SCHEMBL9252997 0.81 SETD7 (0.56) SETD7OPRD1OPRM1OPRK1P2RX7
SCHEMBL13904314 0.79 SIGMAR1 (0.59) SETD7OPRD1OPRM1OPRK1P2RX7
SCHEMBL9253052 0.79 SETD7 (0.54) SETD7OPRD1OPRM1OPRK1P2RX7
SCHEMBL9256632 0.79 SETD7 (0.54) SETD7OPRD1OPRM1OPRK1P2RX7
SCHEMBL9253379 0.79 SETD7 (0.57) SETD7OPRD1OPRM1OPRK1P2RX7
SCHEMBL9249824 0.79 SETD7 (0.57) SETD7OPRD1OPRM1OPRK1P2RX7
SCHEMBL9235468 0.77 SETD7 (0.62) SETD7OPRD1OPRM1OPRK1P2RX7
SCHEMBL14282966 0.77 OPRD1 (0.60) SETD7OPRD1OPRM1OPRK1P2RX7
SCHEMBL11545924 0.75 DRD2 (0.64) OPRD1OPRM1OPRK1P2RX7HTR7

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