SCHEMBL9733148

SCHEMBL9733148

O=C(NC(=O)c1cc(Cl)cc(Cl)c1)NC1CN2CCC1CC2

nearest known ligand 0.97

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.60
HTR3A P46098 4/20 0.60
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
HTR3D Q70Z44 1/20 0.60
HTR3C Q8WXA8 1/20 0.60
KCNH2 Q12809 1/20 0.48

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
SCHEMBL10342300 0.89 CHRNA7 (0.74) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL10436323 0.89 CHRNA7 (0.74) CHRNA7HTR3AHTR3EHTR3BALOX15
Hydrochloric Acid SCHEMBL7291446 0.88 CHRNA7 (0.72) CHRNA7HTR3AHTR3EHTR3BALOX15
Hydrochloric Acid SCHEMBL9601320 0.88 CHRNA7 (0.72) CHRNA7HTR3AHTR3EHTR3BALOX15
Hydrochloric Acid SCHEMBL7278547 0.88 CHRNA7 (0.72) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL9369811 0.82 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL9369952 0.82 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL9369817 0.82 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL9732021 0.78 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7278577 0.76 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BALOX15

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323077-B1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-09-11 EP claimed
US-4983600-A Antiemetics, antianxiety agents, gastrointestinal disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-01-08 US claimed
EP-0323077-A1 Heterocyclic compounds JOHN WYETH & BROTHER LIMITED (GB) 1989-07-05 EP claimed
US-5106843-A Treatment of migraine, emesis, anxiety, gastrointestinal disorders, psychological disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
EP-0323077-B1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-09-11 EP disclosed
US-4983600-A Antiemetics, antianxiety agents, gastrointestinal disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-01-08 US disclosed