SCHEMBL11458039

SCHEMBL11458039

CN1CCCCC1CCOc1cccc(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.57
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
AVPR1B P47901 1/20 0.52

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
SCHEMBL11448416 0.97 LMNA (0.58) HRH3LMNAMAPK1HTTSMN1; SMN2
SCHEMBL14578201 0.89 CHRNB4 (0.62) HRH3HTTCHRNB4CHRNA3
SCHEMBL14578202 0.86 CHRNB4 (0.65) HRH3CHRNB4CHRNA3
SCHEMBL11656348 0.85 CHRNB4 (0.73) HRH3CHRNB4CHRNA3KMT2A
SCHEMBL11448054 0.85 KDM4E (0.59) HRH3CHRNB4CHRNA3
SCHEMBL9238637 0.85 CHRNB4 (0.72) CHRNB4CHRNA3
SCHEMBL11448270 0.85 HRH3 (0.55) HRH3CHRNB4CHRNA3
SCHEMBL9238640 0.85 CHRNB4 (0.72) CHRNB4CHRNA3
SCHEMBL11457944 0.84 CHRNB4 (0.74) HRH3CHRNB4CHRNA3
SCHEMBL11447890 0.84 KDM4E (0.55) CHRNB4CHRNA3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 US disclosed