SCHEMBL8617784

SCHEMBL8617784

CC(C)CC(C)c1cccc2nc(-c3ccccc3)cc(C(=O)NC(=N)N)c12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 12/20 0.43
ALDH1A1 P00352 3/20 0.43
TACR2 P21452 2/20 0.41
DHODH Q02127 1/20 0.41
PTGER4 P35408 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KCNH2 Q12809 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
LARS1 Q9P2J5 1/20 0.39

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
SCHEMBL8615862 0.87 TACR3 (0.46) TACR3ALDH1A1TACR2PTGER4TSHR
SCHEMBL8616630 0.85 TACR3 (0.44) TACR3ALDH1A1TACR2PTGER4TSHR
SCHEMBL8619250 0.81 ATM (0.47) TACR3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8618932 0.81 PTGER4 (0.55) TACR3ALDH1A1DHODHPTGER4MEN1
SCHEMBL8615443 0.81 ALDH1A1 (0.42) TACR3ALDH1A1TACR2DHODHPTGER4
SCHEMBL8618650 0.80 LMNA (0.47) TACR3ALDH1A1TACR2MEN1KMT2A
SCHEMBL8617715 0.80 MEN1 (0.46) TACR3ALDH1A1DHODHPTGER4MEN1
SCHEMBL8613359 0.80 MEN1 (0.46) TACR3ALDH1A1DHODHPTGER4MEN1
SCHEMBL8618116 0.79 ADORA1 (0.47) TACR3ALDH1A1PTGER4TSHRMEN1
SCHEMBL8616258 0.79 MEN1 (0.46) TACR3ALDH1A1DHODHPTGER4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed