SCHEMBL8997727

SCHEMBL8997727

CN(C)CCCCl.ClCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.54
SIGMAR1 Q99720 5/20 0.53
CCR3 P51677 1/20 0.53
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
OPRM1 P35372 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
DRD4 P21917 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
SCHEMBL8997893 0.94 CCR3 (0.56) MC4RSIGMAR1CCR3LMNAPOLB
SCHEMBL10745029 0.84 MC4R (0.65) MC4RSIGMAR1CCR3LMNAPOLB
SCHEMBL9096454 0.84 SIGMAR1 (0.75) MC4RSIGMAR1CCR3LMNAPOLB
SCHEMBL27520452 0.83 SIGMAR1 (0.46) MC4RSIGMAR1LMNAPOLBHRH3
SCHEMBL8997724 0.82 SIGMAR1 (0.46) MC4RSIGMAR1CCR3LMNAPOLB
Hydrochloric Acid SCHEMBL9703228 0.82 SIGMAR1 (0.72) MC4RSIGMAR1CCR3LMNAPOLB
SCHEMBL6323999 0.81 CCR3 (0.71) MC4RSIGMAR1CCR3LMNAPOLB
Hydrochloric Acid SCHEMBL10664920 0.79 CCR3 (0.69) MC4RSIGMAR1CCR3LMNAPOLB
SCHEMBL9413496 0.78 MC4R (0.77) MC4RSIGMAR1CCR3LMNAPOLB
SCHEMBL8997790 0.78 SIGMAR1 (0.64) MC4RSIGMAR1CCR3LMNAPOLB

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
US-5523303-A ANTIULCER AND -SECRETORY AGENTS; GASTRIC H+K+ ATPASE INHIBITORS; NONTOXIC; OXIMES DERIVATIVES EGIS GYOGYSZERGYAR RT. (HU) 1996-06-04 US disclosed
EP-0619298-A2 (Phenylmethylene)-2-(alkyl)-1- omega-(amino)-alkoxyimino -cycloalkane derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-10-12 EP disclosed