SCHEMBL3377159

SCHEMBL3377159

CN(CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)C(=O)OC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
BCHE P06276 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2A13 Q16696 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
P2RX7 Q99572 1/20 0.35
ACHE P22303 2/20 0.34
TSHR P16473 1/20 0.34
KAT2B Q92831 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34

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
SCHEMBL3377536 0.90 KMT2A (0.38) HRH3BCHEMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL3378364 0.89 HRH3 (0.41) HRH3MEN1KMT2ACYP2A13KDM4E
Hydrochloric Acid SCHEMBL3378366 0.89 HRH3 (0.41) HRH3MEN1KMT2ACYP2A13KDM4E
SCHEMBL3378145 0.89 KDM4E (0.45) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL3380792 0.88 HRH3 (0.39) HRH3BCHEKDM4EALDH1A1ACHE
Cyclopropane SCHEMBL3380221 0.86 MEN1 (0.47) HRH3BCHEMEN1KMT2AKDM4E
Cyclohexane SCHEMBL3379321 0.86 MEN1 (0.47) HRH3BCHEMEN1KMT2AKDM4E
SCHEMBL3379890 0.86 MEN1 (0.47) HRH3BCHEMEN1KMT2AKDM4E
Cyclopentane SCHEMBL3378129 0.86 MEN1 (0.47) HRH3BCHEMEN1KMT2AKDM4E
SCHEMBL3380259 0.86 HRH3 (0.45) HRH3BCHEMEN1KMT2AKDM4E

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