SCHEMBL491929

SCHEMBL491929

N[C@H]1CCN(c2ccc3c(C(=O)NCC4(O)CCCCCC4)c(Cl)ccc3n2)C1.N[C@H]1CCNC1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.62

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
SCHEMBL491653 0.93 P2RX7 (0.71) P2RX7
SCHEMBL17323959 0.83 P2RX7 (0.88) P2RX7
SCHEMBL17327671 0.81 P2RX7 (0.65) P2RX7
SCHEMBL491858 0.79 P2RX7 (0.71) P2RX7
SCHEMBL22878864 0.79 P2RX7 (0.71) P2RX7
Water SCHEMBL492139 0.79 P2RX7 (0.70) P2RX7
SCHEMBL1805240 0.78 P2RX7 (0.69) P2RX7
SCHEMBL5767624 0.78 P2RX7 (0.69) P2RX7
SCHEMBL1805331 0.78 P2RX7 (0.69) P2RX7
SCHEMBL17324044 0.78 P2RX7 (0.81) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106073-B2 Quinoline derivatives 057 ASTRAZENECA AB (SE) 2012-01-31 US disclosed