SCHEMBL6969446

SCHEMBL6969446

Cc1c(COC(=O)CN2CCN(Cc3ccccc3)CC2)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PRKAA2 P54646 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
HTR2C P28335 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
TNF P01375 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
Hydrochloric Acid SCHEMBL6966543 0.99 GPR6 (0.36) GPR6DRD2DRD4LMNAMAPT
Hydrochloric Acid SCHEMBL6961096 0.91 KDM4E (0.34) LMNASMN1; SMN2KDM4EALDH1A1NPSR1
Hydrochloric Acid SCHEMBL6967875 0.89 KDM4E (0.38) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6957770 0.88 THRB (0.35) DHFR
SCHEMBL6967410 0.87 KCNH3 (0.34) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6954449 0.86 NOTUM (0.36) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6967711 0.86 TRPC3 (0.37) LMNAMEN1KMT2AKDM4ENPSR1
SCHEMBL6963858 0.86 PIK3CD (0.36) DHFR
SCHEMBL6967978 0.86 PIK3CD (0.36) DHFR
SCHEMBL6963603 0.85 KCNH3 (0.36) LMNAMAPTSMN1; SMN2MEN1KMT2A

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-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP claimed