SCHEMBL3040111

SCHEMBL3040111

CCCCC(CC)c1ccnc(-c2cc(C(CC)CCCC)ccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
BDKRB2 P30411 2/20 0.33
CYP2D6 P10635 2/20 0.32
CYP19A1 P11511 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5974098 0.93 NR1I2 (0.47) NR1I2CCR1CCR5CCR8BDKRB2
SCHEMBL175672 0.93 CCR1 (0.38) NR1I2CCR1CCR5CCR8BDKRB2
Bromide SCHEMBL2514869 0.90 CCR1 (0.35) CCR1CCR5CCR8BDKRB2CYP2D6
SCHEMBL145233 0.87 CCR1 (0.33) CCR1CCR5CCR8BDKRB2CYP2D6
SCHEMBL174988 0.86 NR1I2 (0.39) NR1I2CCR1CCR5CCR8BDKRB2
SCHEMBL11396126 0.85 CCR1 (0.43) CCR1CCR5CCR8CYP2C19KDM4C
SCHEMBL2136994 0.84 ALDH1A1 (0.35) CCR1CCR5CCR8ALDH1A1
SCHEMBL2511650 0.83 KDM5A (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13039644 0.82 LNPEP (0.37) MAPT
SCHEMBL22299535 0.81 LOX (0.41) NR1I2PSEN1PSEN2APH1BNCSTN

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
US-20100204418-A1 Method for Producing Silane-Modified Copolymers CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2010-08-12 US disclosed
EP-2190893-A1 METHOD FOR PRODUCING SILANE-MODIFIED COPOLYMERS Construction Research and Technology GmbH (DE) 2010-06-02 EP disclosed
WO-2009033974-A1 METHOD FOR PRODUCING SILANE-MODIFIED COPOLYMERS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-03-19 WO disclosed