SCHEMBL20056668

SCHEMBL20056668

c1ccc(CCNCC2CCCN2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
LTA4H P09960 5/20 0.48
HTR2A P28223 1/20 0.48
HRH1 P35367 1/20 0.48
SIGMAR1 Q99720 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL12133581 1.00 POLB (0.54) POLBLTA4HHTR2AHRH1SIGMAR1
SCHEMBL13278472 0.95 POLB (0.61) POLBLTA4HHTR2AHRH1SIGMAR1
SCHEMBL1162536 0.85 POLB (0.56) POLBLTA4HHTR2A
SCHEMBL8854588 0.85 POLB (0.56) POLBLTA4HHTR2A
SCHEMBL1162602 0.85 POLB (0.56) POLBLTA4HHTR2A
SCHEMBL3646814 0.84 LTA4H (0.47) LTA4H
SCHEMBL3643848 0.84 LTA4H (0.47) LTA4H
SCHEMBL3642599 0.83 TAAR1 (0.48) POLB
SCHEMBL2937792 0.81 POLB (0.63) POLBLTA4HSIGMAR1
SCHEMBL9469575 0.81 POLB (0.63) POLBLTA4HSIGMAR1

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
EP-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 EP disclosed