SCHEMBL4683777

SCHEMBL4683777

CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccccc2OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.43
KCNK3 O14649 5/20 0.42
KCNK9 Q9NPC2 5/20 0.42
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 3/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL4683546 0.89 SMO (0.42) KMT2ALMNAMAPK1POLBSMN1; SMN2
SCHEMBL4679112 0.89 LMNA (0.43) ACKR3KMT2ALMNAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4679848 0.88 MTTP (0.39) GAALMNAALDH1A1TSHRNPC1
SCHEMBL4679382 0.88 NPC1 (0.46) ACKR3KMT2ALMNAMAPK1POLB
SCHEMBL4679711 0.88 NPC1 (0.46) ACKR3KMT2ALMNAMAPK1POLB
SCHEMBL8129128 0.87 HTT (0.40) KMT2ALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL4677928 0.87 LMNA (0.46) ACKR3KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL4680175 0.87 SMN1; SMN2 (0.42) ACKR3KMT2AGAALMNAUSP2
SCHEMBL4678644 0.87 CYP2C19 (0.41) ACKR3KMT2AGAALMNAMAPK1
Hydrochloric Acid SCHEMBL4682452 0.86 ALDH1A1 (0.40) LMNAPOLBSMN1; SMN2ALDH1A1TSHR

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-1058680-B1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-6319920-B1 MUSCARINIC RECEPTOR ANTAGONIST USED IN GASTROINTESTINAL, GENITOURINARY TRACT, RESPIRATORY TRACT, CARDIOVASCULAR SYSTEM, CENTRAL NERVOUS SYSTEM DISORDERS AND IN ANESTHESIOLOGY AND OPHTHALMOLOGY SYNTEX (U.S.A.) LLC 2001-11-20 US disclosed