SCHEMBL8477348

SCHEMBL8477348

CCCNC(=O)c1c(C(c2ccccc2)c2ccc(OCCC3CCCN3)cc2)c2ccccc2n1CCC1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 7/20 0.41
MAPK1 P28482 1/20 0.38
P2RY12 Q9H244 1/20 0.37
NPY1R P25929 1/20 0.36
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MERTK Q12866 1/20 0.35
PLA2G2A P14555 2/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
NLRP1 Q9C000 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL8479145 0.93 HTR2C (0.42) GPR88NPY1RRAB9ASMN1; SMN2NPC1
SCHEMBL8473410 0.92 MAPK1 (0.43) GPR88MAPK1P2RY12NPY1RMAPT
Hydrochloric Acid SCHEMBL8474178 0.91 KDM4E (0.39) GPR88MAPK1MAPTLMNAMEN1
SCHEMBL8472268 0.89 MAPK1 (0.38) GPR88MAPK1P2RY12NPY1RSMN1; SMN2
Hydrochloric Acid SCHEMBL8476314 0.89 KDM4E (0.38) GPR88MAPK1LMNAMEN1KMT2A
SCHEMBL8477090 0.89 NPY1R (0.40) GPR88MAPK1NPY1RMAPTSMN1; SMN2
SCHEMBL8471933 0.88 MAPK1 (0.37) GPR88MAPK1
SCHEMBL8474562 0.88 MAPK1 (0.38) GPR88MAPK1NPY1RMAPTSMN1; SMN2
SCHEMBL8475771 0.88 SMN1; SMN2 (0.41) MAPK1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL8901044 0.84 NPY1R (0.41) GPR88MAPK1NPY1RMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO disclosed