SCHEMBL7220867

SCHEMBL7220867

Cc1cc(C)c(NC(=O)Cn2c3c(c4ccccc42)CCN(C(=O)O)CC3)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TP53 P04637 3/20 0.53
PTGDR2 Q9Y5Y4 7/20 0.50
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C9 P11712 1/20 0.47
POLB P06746 2/20 0.46

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
SCHEMBL6474937 0.87 HDAC1 (0.50) MAPTTP53PTGDR2LMNAMEN1
SCHEMBL7220006 0.85 MAPT (0.54) MAPTPTGDR2MEN1KMT2AKDM4E
SCHEMBL6474125 0.84 PTGDR2 (0.64) PTGDR2LMNAMEN1KMT2AKDM4E
SCHEMBL6484850 0.83 LMNA (0.56) MAPTTP53PTGDR2LMNAMEN1
Hydrochloric Acid SCHEMBL6474427 0.83 MAPT (0.52) MAPTTP53LMNAMEN1KMT2A
SCHEMBL7227315 0.83 PTGDR2 (0.47) MAPTTP53PTGDR2MEN1KMT2A
SCHEMBL7219447 0.79 SMN1; SMN2 (0.56) MAPTTP53PTGDR2LMNAMEN1
SCHEMBL6480721 0.77 PTGDR2 (0.58) PTGDR2MEN1KMT2AKDM4EGLA
SCHEMBL6480665 0.77 KDM4E (0.60) PTGDR2LMNAMEN1KMT2AKDM4E
SCHEMBL6483292 0.76 PTGDR2 (0.58) PTGDR2MEN1KMT2AKDM4EGLA

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
US-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 US disclosed