SCHEMBL9706330

SCHEMBL9706330

O=C(NNC1CN2CCC1CC2)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 7/20 0.60
▸ HTR3E A5X5Y0 5/20 0.56
▸ HTR3B O95264 5/20 0.56
▸ HTR3A P46098 5/20 0.56
▸ HTR3D Q70Z44 5/20 0.56
▸ HTR3C Q8WXA8 5/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CHRM2 P08172 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ CHRM3 P20309 1/20 0.53

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
SCHEMBL3225472 0.86 CHRNA7 (0.78) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL2218010 0.86 CHRNA7 (0.78) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3216388 0.86 CHRNA7 (0.78) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7278119 0.85 CHRNA7 (0.76) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL18704540 0.85 CHRNA7 (0.76) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL372943 0.81 CHRNA7 (0.74) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3499803 0.78 CHRNA7 (0.74) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL2230266 0.78 CHRNA7 (0.74) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7381736 0.78 CHRNA7 (0.63) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4205298 0.75 CHRNA7 (0.71) CHRNA7HTR3EHTR3BHTR3AHTR3D

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
EP-0190915-B1 Process for the preparation of 2-alkoxy-N-(1-azabicyclo[2.2.2]octan-3-yl) aminobenzamides SYNTHELABO (FR) 1992-10-28 — — EP claimed
US-4870181-A AMIDATION OF 3-AMINOQUINUCLIDINE SALT A. H. ROBINS COMPANY, INCORPORATED (US) 1989-09-26 — — US claimed
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