SCHEMBL6199252

SCHEMBL6199252

Cc1ccccc1OC1CCN(CCNC(=O)Nc2ccnc3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
UTS2R Q9UKP6 8/20 0.47
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTR2C P28335 2/20 0.45
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
HDAC8 Q9BY41 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
HTR2B P41595 1/20 0.42
SHMT2 P34897 1/20 0.42

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
SCHEMBL6195127 0.91 SMN1; SMN2 (0.50) KMT2AMEN1UTS2RUSP2LMNA
SCHEMBL4864362 0.87 CARM1 (0.49) KMT2AMEN1UTS2RHTR2CADRA2A
SCHEMBL6201249 0.87 UTS2R (0.61) KMT2AMEN1UTS2RUSP2LMNA
SCHEMBL6195968 0.84 KMT2A (0.53) KMT2AMEN1UTS2RHTR2CADRA2A
SCHEMBL5733134 0.81 KMT2A (0.57) KMT2AMEN1UTS2RUSP2LMNA
SCHEMBL6196354 0.80 DRD2 (0.53) KMT2AMEN1UTS2RHTR2CADRA2A
SCHEMBL5527306 0.80 HRH3 (0.68) KMT2AMEN1UTS2RHRH3HDAC8
SCHEMBL6198166 0.79 CCR3 (0.60) KMT2AMEN1UTS2RSLC6A2SLC6A4
SCHEMBL6199389 0.79 UTS2R (0.60) KMT2AMEN1UTS2RUSP2LMNA
SCHEMBL6198960 0.79 CCR3 (0.48) UTS2RHTR2CADRA2ADRD2SLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP disclosed