SCHEMBL4648735

SCHEMBL4648735

CC(C(=O)NCC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 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
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CXCR4 P61073 2/20 0.36
FFAR1 O14842 1/20 0.35
SOS1 Q07889 1/20 0.35
ACKR3 P25106 2/20 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
SCHEMBL3378894 0.84 P2RX7 (0.43) P2RX7TP53ALPLALPIALPG
SCHEMBL3380633 0.83 P2RX7 (0.41) P2RX7TP53ALPLALPIALPG
SCHEMBL4648242 0.83 TP53 (0.41) P2RX7TP53ALPLALPIALPG
SCHEMBL3414355 0.82 L3MBTL1 (0.40) P2RX7TP53ALPLALPIALPG
SCHEMBL4646894 0.81 P2RX7 (0.41) P2RX7TP53ALPLALPIALPG
SCHEMBL3381143 0.81 KDM4E (0.46) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL3378843 0.81 KDM4E (0.46) P2RX7MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3379328 0.80 P2RX7 (0.44) P2RX7TP53ALPLALPIALPG
Hydrochloric Acid SCHEMBL3379330 0.80 P2RX7 (0.44) P2RX7TP53ALPLALPIALPG
SCHEMBL3378982 0.79 P2RX7 (0.40) P2RX7TP53ALPLALPIALPG

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
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