SCHEMBL9481253

SCHEMBL9481253

CCCCN1CCC(N(Cc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.46
▸ UBE2M P61081 9/20 0.46
▸ DCUN1D1 Q96GG9 9/20 0.46
▸ APP P05067 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ RAD52 P43351 1/20 0.42
▸ GFER P55789 1/20 0.42

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
Hydrochloric Acid SCHEMBL9480994 0.99 HRH3 (0.46) HRH3UBE2MDCUN1D1APPKDM4E
SCHEMBL9481084 0.94 HRH3 (0.49) HRH3UBE2MDCUN1D1APPKDM4E
SCHEMBL9481058 0.90 HRH3 (0.51) HRH3UBE2MDCUN1D1APPKDM4E
SCHEMBL9482297 0.88 HRH3 (0.51) HRH3UBE2MDCUN1D1APPKDM4E
Hydrochloric Acid SCHEMBL9481001 0.87 HRH3 (0.50) HRH3UBE2MDCUN1D1APPKDM4E
SCHEMBL9480688 0.83 UBE2M (0.53) HRH3UBE2MDCUN1D1
SCHEMBL9481024 0.81 HRH3 (0.46) HRH3UBE2MDCUN1D1APPKDM4E
SCHEMBL9480735 0.80 HRH3 (0.46) HRH3UBE2MDCUN1D1APPKDM4E
SCHEMBL9481451 0.79 DCUN1D1 (0.49) HRH3UBE2MDCUN1D1RAD52
SCHEMBL9481187 0.78 OPRM1 (0.52) HRH3UBE2MDCUN1D1APPKDM4E

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-5216165-A N-substituted aminoquinolines as analgesic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-01 — — US claimed
US-5216165-A N-substituted aminoquinolines as analgesic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-01 — — US disclosed
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