SCHEMBL9257110

SCHEMBL9257110

O=C1c2ccccc2C(=O)N1CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.59
▸ P2RX7 Q99572 1/20 0.57
▸ DRD3 P35462 2/20 0.54
▸ HTR7 P34969 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ DRD2 P14416 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ OPRK1 P41145 1/20 0.52

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
SCHEMBL9256672 0.97 HTR1A (0.59) HTR1AP2RX7DRD3HTR7MAOB
SCHEMBL9252146 0.92 HTR1A (0.56) HTR1AP2RX7HTR7OPRM1OPRD1
SCHEMBL9253620 0.90 HTR1A (0.51) HTR1ADRD3HTR7MAOBDRD2
SCHEMBL9253664 0.87 HTR1A (0.49) HTR1AP2RX7DRD3HTR7MAOB
SCHEMBL9253169 0.82 MAPT (0.54) HTR1A
SCHEMBL13469510 0.81 HTR1A (0.79) HTR1ADRD3MAOBDRD2
SCHEMBL7972938 0.78 ALDH1A1 (0.70) HTR1AMAOBDRD2
SCHEMBL1569172 0.78 HTR1A (0.69) HTR1ADRD3MAOBDRD2
SCHEMBL14028451 0.77 HTR1A (0.79) HTR1ADRD3MAOBDRD2
SCHEMBL14282966 0.77 OPRD1 (0.60) HTR1AP2RX7DRD3HTR7DRD2

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
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