SCHEMBL7873159

SCHEMBL7873159

CC(=N)Nc1cccc(CN2CCc3ccccc3C2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
PRMT5 O14744 3/20 0.52
WDR77 Q9BQA1 3/20 0.52
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
NOD1 Q9Y239 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
NOS1 P29475 1/20 0.49

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
SCHEMBL6957602 0.81 ACKR3 (0.48) MEN1KMT2ASMN1; SMN2KDM4EPRMT5
Bromide SCHEMBL6968359 0.80 ACKR3 (0.48) MEN1KMT2ASMN1; SMN2KDM4EPRMT5
Hydrochloric Acid SCHEMBL9213892 0.80 ACKR3 (0.48) MEN1KMT2ASMN1; SMN2KDM4EPRMT5
Bromide SCHEMBL7865761 0.76 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL9082384 0.75 FAAH (0.52) MEN1KMT2ASMN1; SMN2KDM4EPRMT5
SCHEMBL10978742 0.73 ACHE (0.66) MEN1KMT2ASMN1; SMN2KDM4EPRMT5
SCHEMBL31134754 0.73 ACHE (0.66) MEN1KMT2ASMN1; SMN2KDM4EPRMT5
SCHEMBL8304595 0.73 L3MBTL1 (0.55) MEN1KMT2AKDM4EHTTNPSR1
SCHEMBL14234933 0.73 SIGMAR1 (0.64) MEN1KMT2AKDM4EHTTNPSR1
Hydrochloric Acid SCHEMBL6968014 0.72 L3MBTL1 (0.54) MEN1KMT2AKDM4EHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP claimed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO claimed
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO disclosed