SCHEMBL10564699

SCHEMBL10564699

CC(C)N1CCC(Oc2ncccc2C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ HCRTR2 O43614 4/20 0.43
▸ HCRTR1 O43613 3/20 0.41
▸ NMT1 P30419 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10370980 0.85 KMT2A (0.47) KMT2AHCRTR2HCRTR1
SCHEMBL10371952 0.81 KMT2A (0.43) KMT2AHCRTR2HCRTR1NMT1ROCK2
SCHEMBL10370982 0.80 SCN1A (0.44) HRH3KMT2AMEN1
SCHEMBL10372099 0.78 ROCK2 (0.41) HRH3KMT2AHCRTR2HCRTR1PARP1
SCHEMBL28976790 0.76 LMNA (0.49) KMT2AROCK2NPSR1
SCHEMBL10371065 0.76 ACHE (0.44) —
SCHEMBL3934706 0.75 FFAR4 (0.48) KMT2ANPSR1
SCHEMBL10371944 0.74 MAPK1 (0.45) MAPK1
SCHEMBL10372149 0.74 KDM4E (0.47) —
SCHEMBL20147430 0.74 HRH3 (0.52) HRH3HCRTR2HCRTR1KDM5A

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-4812565-A ANTIHISTAMINE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 — — US disclosed
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