SCHEMBL9303335

SCHEMBL9303335

CN(CCCC1(c2ccccc2)CC(=O)NC(=O)C1)CCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.45
TMEM97 Q5BJF2 3/20 0.45
KMT2A Q03164 1/20 0.38
FDPS P14324 1/20 0.37
UTS2R Q9UKP6 3/20 0.37
AOC3 Q16853 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL9869620 0.92 SIGMAR1 (0.49) SIGMAR1TMEM97FDPS
SCHEMBL9304044 0.90 SIGMAR1 (0.42) SIGMAR1TMEM97KMT2A
SCHEMBL9303707 0.84 SCN1A (0.38) SIGMAR1
SCHEMBL9304467 0.81 UTS2R (0.35) SIGMAR1TMEM97UTS2RAOC3
SCHEMBL9304202 0.81 SIGMAR1 (0.46) SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL11610377 0.73 SCN1A (0.57) SIGMAR1TMEM97KMT2AFDPSAOC3
Hydrochloric Acid SCHEMBL11606157 0.73 SIGMAR1 (0.45) SIGMAR1TMEM97FDPSAOC3
SCHEMBL9304790 0.72 TAAR1 (0.36) SIGMAR1FDPSAOC3
SCHEMBL9303673 0.71 CNR2 (0.34) SIGMAR1TMEM97
SCHEMBL9303403 0.68 SLC6A2 (0.43) SIGMAR1KMT2A

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-0505379-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-07-20 EP disclosed
US-5300516-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-04-05 US disclosed