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SCHEMBL3380834

SCHEMBL3380834

CC(C)CCC(=O)N(C)CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.42
▸ MLNR O43193 1/20 0.39
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL3376226 0.91 HRH3 (0.43) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3377882 0.88 HRH3 (0.42) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3378988 0.88 HRH3 (0.45) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3376182 0.88 HRH3 (0.45) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3377424 0.87 HRH3 (0.44) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3376005 0.87 HRH3 (0.41) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3377185 0.86 HRH3 (0.43) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3376004 0.86 HRH3 (0.56) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3379047 0.85 HRH3 (0.43) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3377606 0.85 HRH3 (0.43) HRH3MEN1KMT2AKDM4EALDH1A1

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
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 — — EP claimed