SCHEMBL8301159

SCHEMBL8301159

Clc1nc(Cl)c(Cl)c(NCCN2CCN(Cc3ccccc3)CC2)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
ACHE P22303 1/20 0.50
SLC2A1 P11166 3/20 0.48
MC4R P32245 1/20 0.47
CCR3 P51677 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8301305 0.92 CCR3 (0.51) SIGMAR1ACHESLC2A1CCR3LMNA
SCHEMBL8299951 0.78 ACHE (0.57) ACHELMNAMAPT
SCHEMBL6659339 0.73 SIGMAR1 (0.86) SIGMAR1MC4RCCR3LMNA
SCHEMBL5754715 0.72 GAA (0.64) SIGMAR1ACHEMC4RCCR3LMNA
SCHEMBL6957735 0.72 MC4R (0.65) SIGMAR1MC4RCCR3LMNA
SCHEMBL1752874 0.72 ACHE (0.74) ACHE
SCHEMBL4389670 0.72 KMT2A (0.55)
SCHEMBL2489199 0.71 SIGMAR1 (1.00) SIGMAR1ACHEMC4RCCR3LMNA
SCHEMBL1415730 0.71 SIGMAR1 (1.00) SIGMAR1ACHEMC4RCCR3LMNA
SCHEMBL576868 0.71 SIGMAR1 (1.00) SIGMAR1ACHEMC4RCCR3LMNA

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