SCHEMBL11521925

SCHEMBL11521925

CN1CCC(=C2c3ccccc3CCc3ccc(Br)cc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.73
CHRM2 P08172 5/20 0.62
CHRM1 P11229 5/20 0.62
ADRA1A P35348 5/20 0.62
KCNH2 Q12809 5/20 0.62
HTR1A P08908 4/20 0.62
HTR2A P28223 4/20 0.62
HTR2C P28335 4/20 0.62
HRH1 P35367 4/20 0.62
HTR2B P41595 4/20 0.62
ADRA2A P08913 4/20 0.62
DRD1 P21728 4/20 0.62
DRD3 P35462 4/20 0.62
DRD2 P14416 3/20 0.62
SLC6A2 P23975 3/20 0.62
SLC6A4 P31645 3/20 0.62
SLC6A3 Q01959 3/20 0.62
OPRK1 P41145 3/20 0.62
ADRA2B P18089 3/20 0.62
ADRA2C P18825 3/20 0.62

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
SCHEMBL7817056 0.86 SETD7 (1.00) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL10899650 0.83 SETD7 (0.75) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL3134916 0.82 SETD7 (0.56) SETD7CHRM2CHRM1ADRA1AKCNH2
Hydrochloric Acid SCHEMBL11154114 0.82 LMNA (0.76) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL490214 0.80 SETD7 (0.56) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL9167976 0.79 SETD7 (0.86) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL11573091 0.79 SETD7 (0.76) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL11574284 0.79 SETD7 (0.76) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL11456307 0.79 SETD7 (0.68) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL11520204 0.79 SETD7 (0.68) SETD7CHRM2CHRM1ADRA1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160031-A Antihistaminic and appetite stimulating 10,11-dihydro-3-carboxycyproheptadine MERCK & CO., INC. (US) 1979-07-03 US disclosed
US-4022902-A APPETITE STIMULANTS AND ANTIHISTAMINES MERCK & CO., INC. (US) 1977-05-10 US disclosed