SCHEMBL7995541

SCHEMBL7995541

COC(=O)c1cc(C(=O)NN2CCN(C)CC2)cc(-c2cc(Cl)ccc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR1 P21554 3/20 0.44
LIPE Q05469 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
TNIK Q9UKE5 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL8440974 0.84 KMT2A (0.50) KMT2AHDAC8HDAC6HRH4TDP1
Hydrochloric Acid SCHEMBL8008010 0.83 KMT2A (0.43) KMT2AHDAC8HDAC6HRH4TDP1
Hydrochloric Acid SCHEMBL8008012 0.83 CNR1 (0.43) KMT2AHDAC8HDAC6HRH4CNR1
SCHEMBL8444031 0.80 KMT2A (0.46) KMT2AHDAC8HDAC6HRH4TDP1
SCHEMBL8005356 0.77 MAPT (0.44) KMT2ATP53SMN1; SMN2
SCHEMBL8007343 0.76 ALDH1A1 (0.58) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL8818855 0.75 CA12 (0.53) KMT2ATDP1CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8443489 0.74 CYP2D6 (0.45) KMT2AHDAC8HDAC6CYP2D6CYP2C9
SCHEMBL7995563 0.74 LMNA (0.61) KMT2ACYP2D6CYP2C9LMNASMN1; SMN2
SCHEMBL8007345 0.74 CHRM3 (0.51)

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
US-6017917-A Guanidine derivatives FUJISAWA PHARAMCEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0876338-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997025310-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-17 WO disclosed