SCHEMBL3377338

SCHEMBL3377338

Cc1cnc(OC(=O)N(C)CC2CC(Oc3cccc(CN4CCCC4)c3Cl)C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.34
SIGMAR1 Q99720 2/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MGLL Q99685 1/20 0.32
HTR2C P28335 1/20 0.32
MCHR1 Q99705 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3379864 0.90 HRH3 (0.39) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3378211 0.90 HRH3 (0.40) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3378100 0.88 HRH3 (0.40) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3378522 0.88 HRH3 (0.40) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3381202 0.88 HRH3 (0.39) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3376099 0.87 HRH3 (0.40) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3374996 0.85 HRH3 (0.40) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3377595 0.85 HRH3 (0.38) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3377452 0.85 HRH3 (0.40) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3381646 0.84 HRH3 (0.49) HRH3KMT2APOLB

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