SCHEMBL9480735

SCHEMBL9480735

CCCC(=O)N(Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)C1CCN(CCCCCC(=O)N(CC)CC)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.46
▸ ANPEP P15144 1/20 0.46
▸ APP P05067 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ OPRM1 P35372 2/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ HTR2B P41595 1/20 0.43

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
SCHEMBL9481024 0.98 HRH3 (0.46) HRH3ANPEPAPPMEN1KMT2A
SCHEMBL9482297 0.92 HRH3 (0.51) HRH3ANPEPAPPMEN1KMT2A
Hydrochloric Acid SCHEMBL9481001 0.91 HRH3 (0.50) HRH3ANPEPAPPMEN1KMT2A
SCHEMBL9480625 0.88 ANPEP (0.49) HRH3ANPEPAPPMEN1KMT2A
SCHEMBL9480811 0.86 APP (0.46) HRH3APPMEN1KMT2AKDM4E
SCHEMBL9480688 0.86 UBE2M (0.53) HRH3OPRM1UBE2MDCUN1D1
SCHEMBL9481187 0.85 OPRM1 (0.52) HRH3APPMEN1KMT2AKDM4E
SCHEMBL9481058 0.85 HRH3 (0.51) HRH3APPMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL9482134 0.84 ANPEP (0.45) HRH3ANPEPAPPMEN1KMT2A
SCHEMBL9481084 0.83 HRH3 (0.49) HRH3APPMEN1KMT2AKDM4E

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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