SCHEMBL10674579

SCHEMBL10674579

CN1CCN(C(c2ccc(Cl)cc2)c2cccc(OCC(=O)O)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 4/20 0.60
▸ SLC6A3 Q01959 4/20 0.60
▸ KCNH2 Q12809 4/20 0.60
▸ SLC6A2 P23975 3/20 0.60
▸ SLC6A4 P31645 3/20 0.60
▸ CHRM2 P08172 3/20 0.60
▸ ADRA2A P08913 3/20 0.60
▸ CHRM1 P11229 3/20 0.60
▸ DRD1 P21728 3/20 0.60
▸ HTR1A P08908 2/20 0.60
▸ TBXA2R P21731 2/20 0.60
▸ ADRA1A P35348 2/20 0.60
▸ BCL2 P10415 1/20 0.60
▸ HRH3 Q9Y5N1 1/20 0.60
▸ CYP2D6 P10635 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HRH1 P35367 4/20 0.57
▸ USP2 O75604 2/20 0.57

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
SCHEMBL10676473 0.88 SLC6A2 (0.52) DRD3SLC6A3KCNH2SLC6A2SLC6A4
SCHEMBL9561903 0.83 KCNH2 (0.64) DRD3SLC6A3KCNH2SLC6A2SLC6A4
SCHEMBL10672421 0.83 HRH1 (0.71) DRD3SLC6A3KCNH2SLC6A2SLC6A4
SCHEMBL10672645 0.83 HRH1 (0.68) DRD3SLC6A3KCNH2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9439186 0.83 CYP2D6 (0.65) DRD3SLC6A3KCNH2SLC6A2SLC6A4
SCHEMBL10673606 0.79 DRD3 (0.68) DRD3SLC6A3KCNH2SLC6A2SLC6A4
Chlorcyclizine SCHEMBL16769331 0.77 KCNH2 (1.00) DRD3SLC6A3KCNH2SLC6A2SLC6A4
Chlorcyclizine SCHEMBL12157065 0.77 KCNH2 (1.00) DRD3SLC6A3KCNH2SLC6A2SLC6A4
Chlorcyclizine SCHEMBL13724147 0.77 KCNH2 (1.00) DRD3SLC6A3KCNH2SLC6A2SLC6A4
Chlorcyclizine SCHEMBL4383 0.77 KCNH2 (1.00) DRD3SLC6A3KCNH2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0133323-B1 BENZHYDRYLPIPERAZINES THE WELLCOME FOUNDATION LIMITED (GB) 1988-02-03 — — EP claimed
EP-0133323-A1 Benzhydrylpiperazines THE WELLCOME FOUNDATION LIMITED (GB) 1985-02-20 — — EP claimed
US-4757074-A Antihistamines BURROUGHS WELLCOME CO. (US) 1988-07-12 — — US disclosed
EP-0133323-B1 BENZHYDRYLPIPERAZINES THE WELLCOME FOUNDATION LIMITED (GB) 1988-02-03 — — EP disclosed
EP-0133323-A1 Benzhydrylpiperazines THE WELLCOME FOUNDATION LIMITED (GB) 1985-02-20 — — EP disclosed
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