SCHEMBL11478221

SCHEMBL11478221

CN1CCC(=C2c3ccccc3C=Cc3ccc(CO)cc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 7/20 0.69
▸ CHRM2 P08172 3/20 0.69
▸ HTR1A P08908 3/20 0.69
▸ ADRA2A P08913 3/20 0.69
▸ CHRM1 P11229 3/20 0.69
▸ DRD1 P21728 3/20 0.69
▸ SLC6A2 P23975 3/20 0.69
▸ SLC6A4 P31645 3/20 0.69
▸ ADRA1A P35348 3/20 0.69
▸ DRD3 P35462 3/20 0.69
▸ SLC6A3 Q01959 3/20 0.69
▸ KCNH2 Q12809 3/20 0.69
▸ CYP2D6 P10635 2/20 0.69
▸ TBXA2R P21731 2/20 0.69
▸ CYP2C19 P33261 2/20 0.69
▸ OPRM1 P35372 2/20 0.69
▸ HTT P42858 2/20 0.69
▸ DRD2 P14416 2/20 0.69
▸ ADRA2B P18089 2/20 0.69
▸ ADRA2C P18825 2/20 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
SCHEMBL11478334 0.87 SETD7 (0.50) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL9444000 0.87 SETD7 (0.69) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL11474273 0.86 SETD7 (0.49) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL11456307 0.84 SETD7 (0.68) SETD7CHRM2HTR1AADRA2ACHRM1
Cyproheptadine SCHEMBL7923153 0.83 SETD7 (1.00) SETD7CHRM2HTR1AADRA2ACHRM1
Cyproheptadine SCHEMBL4021 0.83 SETD7 (1.00) SETD7CHRM2HTR1AADRA2ACHRM1
Cyproheptadine SCHEMBL29369949 0.83 SETD7 (1.00) SETD7CHRM2HTR1AADRA2ACHRM1
Cyproheptadine SCHEMBL20610743 0.82 LMNA (1.00) SETD7CHRM2HTR1AADRA2ACHRM1
Cyproheptadine SCHEMBL5500354 0.82 LMNA (1.00) SETD7CHRM2HTR1AADRA2ACHRM1
Cyproheptadine SCHEMBL41842 0.82 LMNA (1.00) SETD7CHRM2HTR1AADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0015458-A1 3-Hydroxymethylcyproheptadine and analogs, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1980-09-17 — — EP claimed
US-4212871-A Appetite stimulating and antihistaminic 3-hydroxymethylcyproheptadine and analogs MERCK & CO., INC. (US) 1980-07-15 — — US claimed
EP-0015458-A1 3-Hydroxymethylcyproheptadine and analogs, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1980-09-17 — — EP disclosed
US-4212871-A Appetite stimulating and antihistaminic 3-hydroxymethylcyproheptadine and analogs MERCK & CO., INC. (US) 1980-07-15 — — US disclosed
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