SCHEMBL4648701

SCHEMBL4648701

O=C(NCC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)c1ccc(CF)cc1CF

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.45
HTR4 Q13639 2/20 0.40
CCR3 P51677 3/20 0.38
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MCHR1 Q99705 1/20 0.36
IL1B P01584 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL4646463 0.89 HDAC3 (0.44) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL4647815 0.88 P2RX7 (0.43) P2RX7DRD2DRD4MCHR1ALDH1A1
SCHEMBL4648508 0.85 ALDH1A1 (0.40) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL4646472 0.82 TP53 (0.36) P2RX7ALDH1A1POLB
SCHEMBL3378894 0.80 P2RX7 (0.43) P2RX7CCR3ALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL3379328 0.80 P2RX7 (0.44) P2RX7CCR3ALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL3379330 0.80 P2RX7 (0.44) P2RX7CCR3ALDH1A1POLBL3MBTL1
SCHEMBL4648354 0.78 POLB (0.43) P2RX7DRD2HDAC3HDAC4HDAC1
SCHEMBL3380633 0.78 P2RX7 (0.41) P2RX7ALDH1A1POLBL3MBTL1
SCHEMBL4646894 0.78 P2RX7 (0.41) P2RX7HDAC3HDAC4HDAC1HDAC7

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 claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed