SCHEMBL8301305

SCHEMBL8301305

Clc1nc(Cl)c(Cl)c(NCCCN2CCN(Cc3ccccc3)CC2)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.51
HTR7 P34969 2/20 0.51
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SLC2A1 P11166 4/20 0.49
HRH3 Q9Y5N1 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
RAD52 P43351 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL8301159 0.92 SIGMAR1 (0.50) CCR3SLC2A1SIGMAR1LMNAACHE
SCHEMBL8299951 0.76 ACHE (0.57) HRH3KDM4ELMNAGAAKMT2A
SCHEMBL6657455 0.74 CCR3 (0.85) CCR3SIGMAR1LMNAPOLB
SCHEMBL6659913 0.74 CCR3 (0.79) CCR3SIGMAR1KDM4ELMNAPOLB
SCHEMBL13140399 0.74 CCR3 (0.63) CCR3HTR7SIGMAR1LMNAPOLB
SCHEMBL6657649 0.73 CCR3 (0.82) CCR3HTR7SIGMAR1LMNAPOLB
Hydrochloric Acid SCHEMBL10502885 0.73 CCR3 (0.76) CCR3SIGMAR1LMNAPOLB
SCHEMBL6659339 0.71 SIGMAR1 (0.86) CCR3SIGMAR1LMNAPOLBKMT2A
SCHEMBL19716910 0.71 ALDH1A1 (0.67) CCR3HTR7KMT2A
SCHEMBL11801794 0.70 CCR3 (0.89) CCR3SIGMAR1KDM4EKMT2A

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-0808306-B1 NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 1999-08-04 EP disclosed
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 US disclosed