SCHEMBL2398201

SCHEMBL2398201

Cc1ccnc(-c2cc(CCCCCCCCCCCBr)ccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.53
CCR5 P51681 1/20 0.53
CCR8 P51685 1/20 0.53
FAAH O00519 1/20 0.41
CES1 P23141 1/20 0.41
METAP2 P50579 1/20 0.41
CYP2A6 P11509 1/20 0.37
UHRF1 Q96T88 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 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
SCHEMBL3031381 1.00 CCR1 (0.53) CCR1CCR5CCR8FAAHCES1
SCHEMBL1255405 0.98 CCR1 (0.55) CCR1CCR5CCR8FAAHCES1
SCHEMBL30701798 0.98 CCR1 (0.55) CCR1CCR5CCR8FAAHCES1
SCHEMBL29531413 0.97 CCR1 (0.53) CCR1CCR5CCR8FAAHCES1
SCHEMBL17351617 0.97 CCR1 (0.53) CCR1CCR5CCR8FAAHCES1
Dipyridyl SCHEMBL5007665 0.89 CCR1 (0.45) CCR1CCR5CCR8FAAHCES1
Dipyridyl SCHEMBL699785 0.89 CCR1 (0.45) CCR1CCR5CCR8FAAHCES1
SCHEMBL8425952 0.86 CCR1 (0.55) CCR1CCR5CCR8FAAHCES1
SCHEMBL17912487 0.86 CCR1 (0.55) CCR1CCR5CCR8FAAHCES1
SCHEMBL15819664 0.86 CCR1 (0.55) CCR1CCR5CCR8FAAHCES1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231900-B1 MONOLITHIC CATALYST SYSTEM FOR THE PHOTOLYSIS OF WATER CFSO GMBH (DE) 2019-06-12 EP disclosed
US-8883671-B2 Monolithic catalyst system for the photolysis of water CFSO GMBH (DE) 2014-11-11 US disclosed
US-20110220484-A1 MONOLITHIC CATALYST SYSTEM FOR THE PHOTOLYSIS OF WATER CFSO GMBH (DE) 2011-09-15 US disclosed
EP-2231900-A1 MONOLITHIC CATALYST SYSTEM FOR THE PHOTOLYSIS OF WATER Cfso Gmbh (DE) 2010-09-29 EP disclosed
WO-2009056348-A1 MONOLITHIC CATALYST SYSTEM FOR THE PHOTOLYSIS OF WATER CFSO GMBH (DE) 2009-05-07 WO disclosed