SCHEMBL19676463

SCHEMBL19676463

O=C(CNCc1cc(C(=O)O)ccn1)NC1CCC(CCc2ccc(-c3ccccc3)o2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.39
▸ DRD2 P14416 4/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ KDM5B Q9UGL1 8/20 0.38
▸ KDM4A O75164 4/20 0.38
▸ KDM5C P41229 4/20 0.38
▸ KDM5A P29375 2/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4B O94953 2/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL15637624 0.86 MCHR1 (0.46) KDM5BKDM4AKDM5CKDM5AKDM6B
SCHEMBL16291545 0.78 L3MBTL1 (0.54) KDM5BKDM4AKDM5CKDM5AKDM6B
SCHEMBL15636850 0.73 DRD4 (0.55) KDM5BKDM4AKDM5CKDM5AKDM6B
SCHEMBL15636697 0.73 KDM5C (0.48) KDM5BKDM4AKDM5CKDM5AKDM6B
SCHEMBL15636721 0.71 SIGMAR1 (0.52) DRD2KDM5BKDM4AKDM5CKDM6B
SCHEMBL15636644 0.71 KDM5B (0.51) KDM5BKDM4AKDM5CKDM5AKDM6B
SCHEMBL20779104 0.70 SIGMAR1 (0.43) KDM5BKDM4AKDM5CKDM5AKDM6B
SCHEMBL19574680 0.69 TSHR (0.43) KDM5BKDM4AKDM5CKDM5AKDM6B
SCHEMBL15635975 0.68 SIGMAR1 (0.58) KMT2AALDH1A1POLBHTTMEN1
SCHEMBL17710855 0.65 CXCR4 (0.60) DRD2HTR2ADRD3KDM5BKDM4A

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-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
Send feedback