SCHEMBL10677115

SCHEMBL10677115

CN1CCN(C(c2ccc(Cl)cc2)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.70
▸ ADRA2A P08913 3/20 0.70
▸ CHRM1 P11229 3/20 0.70
▸ DRD1 P21728 3/20 0.70
▸ DRD3 P35462 3/20 0.70
▸ SLC6A3 Q01959 3/20 0.70
▸ KCNH2 Q12809 3/20 0.70
▸ HTR1A P08908 2/20 0.70
▸ TBXA2R P21731 2/20 0.70
▸ SLC6A2 P23975 2/20 0.70
▸ SLC6A4 P31645 2/20 0.70
▸ ADRA1A P35348 2/20 0.70
▸ BCL2 P10415 1/20 0.70
▸ HRH3 Q9Y5N1 1/20 0.70
▸ CYP2D6 P10635 3/20 0.68
▸ TSHR P16473 2/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ OPRM1 P35372 2/20 0.63

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
SCHEMBL10673606 0.87 DRD3 (0.68) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL2056217 0.86 CHRM2 (0.86) CHRM2ADRA2ACHRM1DRD1DRD3
Chlorcyclizine SCHEMBL13724147 0.83 KCNH2 (1.00) CHRM2ADRA2ACHRM1DRD1DRD3
Chlorcyclizine SCHEMBL4383 0.83 KCNH2 (1.00) CHRM2ADRA2ACHRM1DRD1DRD3
Chlorcyclizine SCHEMBL16769331 0.83 KCNH2 (1.00) CHRM2ADRA2ACHRM1DRD1DRD3
Chlorcyclizine SCHEMBL12157065 0.83 KCNH2 (1.00) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL10898411 0.82 OPRD1 (0.78) CYP2D6TSHROPRM1MEN1KMT2A
Chlorcyclizine SCHEMBL321657 0.81 CYP2D6 (1.00) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL10673353 0.80 CHRM2 (0.66) CHRM2ADRA2ACHRM1DRD1DRD3
Homochlorcyclizine SCHEMBL30402 0.78 DRD3 (1.00) CHRM2ADRA2ACHRM1DRD1DRD3

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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