SCHEMBL9443979

SCHEMBL9443979

CN1CCC(=C2c3ccccc3C=Cc3ccc(C=O)cc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 7/20 0.69
▸ CHRM2 P08172 4/20 0.69
▸ ADRA2A P08913 4/20 0.69
▸ CHRM1 P11229 4/20 0.69
▸ DRD1 P21728 4/20 0.69
▸ ADRA1A P35348 4/20 0.69
▸ DRD3 P35462 4/20 0.69
▸ KCNH2 Q12809 4/20 0.69
▸ HTR1A P08908 3/20 0.69
▸ SLC6A2 P23975 3/20 0.69
▸ SLC6A4 P31645 3/20 0.69
▸ SLC6A3 Q01959 3/20 0.69
▸ CYP2D6 P10635 3/20 0.69
▸ CYP2C19 P33261 3/20 0.69
▸ ADRA2B P18089 3/20 0.69
▸ ADRA2C P18825 3/20 0.69
▸ ADRA1D P25100 3/20 0.69
▸ HTR2A P28223 3/20 0.69
▸ HTR2C P28335 3/20 0.69
▸ HRH1 P35367 3/20 0.69

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
SCHEMBL9443978 1.00 SETD7 (0.69) SETD7CHRM2ADRA2ACHRM1DRD1
SCHEMBL11464514 0.87 SETD7 (0.50) SETD7CHRM2ADRA2ACHRM1DRD1
SCHEMBL11457687 0.86 SETD7 (0.49) SETD7CHRM2ADRA2ACHRM1DRD1
SCHEMBL11456520 0.84 SETD7 (0.68) SETD7CHRM2ADRA2ACHRM1DRD1
Cyproheptadine SCHEMBL7923153 0.83 SETD7 (1.00) SETD7CHRM2ADRA2ACHRM1DRD1
Cyproheptadine SCHEMBL4021 0.83 SETD7 (1.00) SETD7CHRM2ADRA2ACHRM1DRD1
Cyproheptadine SCHEMBL29369949 0.83 SETD7 (1.00) SETD7CHRM2ADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL11467021 0.83 SETD7 (0.66) SETD7CHRM2ADRA2ACHRM1DRD1
Cyproheptadine SCHEMBL20610743 0.82 LMNA (1.00) SETD7CHRM2ADRA2ACHRM1DRD1
Cyproheptadine SCHEMBL41842 0.82 LMNA (1.00) SETD7CHRM2ADRA2ACHRM1DRD1

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-0016349-A1 3-Formylcyproheptadine and analogs, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1980-10-01 — — EP claimed
US-5272159-A Adjuncts in cancer chemotherapy MERCK & CO., INC. (US) 1993-12-21 — — US disclosed
US-5114919-A Cyproheptadine derivatives sensitize tumor cells to anticarcinogenic agents MERCK & CO., INC. (US) 1992-05-19 — — US disclosed
US-5021426-A Mixture with chloroquine, hydroxychloroquine, amodiaquine, mefloquine or salts thereof MERCK & CO., INC. (US) 1991-06-04 — — US disclosed
US-4996321-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1991-02-26 — — US disclosed
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