SCHEMBL3414355

SCHEMBL3414355

COC(C)CC(=O)NCC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
P2RX7 Q99572 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
DRD3 P35462 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 1/20 0.34
ACHE P22303 1/20 0.34
CXCR4 P61073 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CCR2 P41597 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
SCHEMBL3378894 0.86 P2RX7 (0.43) L3MBTL1P2RX7MEN1KMT2ATP53
SCHEMBL4646894 0.85 P2RX7 (0.41) L3MBTL1P2RX7MEN1KMT2ATP53
SCHEMBL4648735 0.82 P2RX7 (0.39) L3MBTL1P2RX7MEN1KMT2ATP53
SCHEMBL3380633 0.81 P2RX7 (0.41) L3MBTL1P2RX7MEN1KMT2ATP53
SCHEMBL4645798 0.81 HRH3 (0.48) MEN1KMT2AFAAHACHE
Hydrochloric Acid SCHEMBL3379330 0.80 P2RX7 (0.44) L3MBTL1P2RX7MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL3379328 0.80 P2RX7 (0.44) L3MBTL1P2RX7MEN1KMT2ATP53
SCHEMBL3381143 0.80 KDM4E (0.46) P2RX7MEN1KMT2AKDM4EALDH1A1
SCHEMBL3378843 0.80 KDM4E (0.46) P2RX7MEN1KMT2AKDM4EALDH1A1
SCHEMBL4648242 0.79 TP53 (0.41) L3MBTL1P2RX7MEN1KMT2ATP53

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 3 patents. 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 disclosed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO disclosed