SCHEMBL8997724

SCHEMBL8997724

CC(CCl)CN1CCN(Cc2ccccc2)CC1.CN(C)CCCCl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
HRH3 Q9Y5N1 2/20 0.46
KDM4E B2RXH2 3/20 0.45
MC4R P32245 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.41
CCR3 P51677 1/20 0.40
IGF1R P08069 1/20 0.40
DRD4 P21917 1/20 0.40
ATM Q13315 1/20 0.40

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 0.82 CCR3 (0.56) SIGMAR1HRH3MC4RLMNAPOLB
SCHEMBL8997727 0.82 MC4R (0.54) SIGMAR1HRH3MC4RLMNAPOLB
SCHEMBL27520452 0.77 SIGMAR1 (0.46) SIGMAR1HRH3MC4RLMNAPOLB
SCHEMBL27413112 0.74 SLC6A3 (0.54) SIGMAR1NPSR1
SCHEMBL30864070 0.73 SIGMAR1 (0.60) SIGMAR1KDM4EMC4RLMNAPOLB
SCHEMBL30816895 0.73 SIGMAR1 (0.60) SIGMAR1KDM4EMC4RLMNAPOLB
SCHEMBL30816869 0.73 SIGMAR1 (0.60) SIGMAR1KDM4EMC4RLMNAPOLB
SCHEMBL10745029 0.73 MC4R (0.65) SIGMAR1MC4RLMNAPOLBCCR3
SCHEMBL1126489 0.72 SIGMAR1 (0.69) SIGMAR1KDM4EMC4RLMNAPOLB
SCHEMBL11171266 0.70 ALDH1A1 (0.64) SIGMAR1KDM4ELMNAMEN1KMT2A

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