SCHEMBL8910314

SCHEMBL8910314

CCCN1C(=O)C(Cc2ccc(-c3ccc(Cl)cc3)cc2)(N2CCNCC2)C(=O)Nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.41
CXCR3 P49682 1/20 0.35
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTR7 P34969 3/20 0.34
PKM P14618 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
MDM2 Q00987 1/20 0.32
EGFR P00533 1/20 0.32
CRBN Q96SW2 1/20 0.31
BRD4 O60885 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL8910772 0.92 DRD4 (0.37) DRD4CXCR3KMT2AKDM4EMEN1
SCHEMBL8911392 0.84 DRD4 (0.34) DRD4CXCR3
SCHEMBL8910318 0.83 HTR7 (0.43) DRD4CXCR3KMT2AMEN1HTR7
SCHEMBL8910776 0.75 HTR7 (0.42) DRD4CXCR3KMT2AMEN1HTR7
SCHEMBL8910312 0.69 DRD4 (0.41) DRD4CXCR3KMT2AMEN1ALDH1A1
SCHEMBL8911396 0.67 DRD4 (0.40) DRD4KMT2AKDM4EMEN1HTR7
SCHEMBL8910768 0.66 DRD4 (0.39) DRD4CXCR3KMT2AMEN1ALDH1A1
SCHEMBL8911389 0.65 TSHR (0.36) DRD4CXCR3ALDH1A1MAPTHPGD
SCHEMBL1321517 0.64 PKM (0.55) HTR7PKMMDM2MAPTHTR2C
SCHEMBL11884861 0.59 ALDH1A1 (0.47) KMT2AKDM4EMEN1ALDH1A1GAA

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-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed