SCHEMBL6955352

SCHEMBL6955352

NCC(N)Cc1cc2ccccc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
AGXT P21549 1/20 0.53
PSMB5 P28074 2/20 0.43
PSMB8 P28062 1/20 0.43
PIN1 Q13526 1/20 0.42
HTR2B P41595 2/20 0.42
HTR1A P08908 1/20 0.42
CYP19A1 P11511 1/20 0.41
FLT3 P36888 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 1/20 0.39
CA2 P00918 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37

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
SCHEMBL2022678 0.81 LOXL2 (0.59) LOXL2AGXTPSMB5PSMB8PIN1
SCHEMBL533908 0.77 LOXL2 (1.00) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL8099960 0.77 LOXL2 (0.54) LOXL2AGXTPSMB5PSMB8PIN1
SCHEMBL5962355 0.77 LOXL2 (0.58) LOXL2AGXTPSMB5PSMB8PIN1
Hydrochloric Acid SCHEMBL6942058 0.76 LOXL2 (0.96) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL7888402 0.76 PIN1 (0.54) LOXL2AGXTPSMB5PSMB8PIN1
SCHEMBL4784337 0.76 PIN1 (0.54) LOXL2AGXTPSMB5PSMB8PIN1
Hydrochloric Acid SCHEMBL8578217 0.74 PIN1 (0.53) LOXL2AGXTPSMB5PSMB8PIN1
SCHEMBL140395 0.74 LOXL2 (0.71) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL11291792 0.74 LOXL2 (0.55) LOXL2AGXTPSMB5PSMB8PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1010693-B1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-09-24 EP disclosed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed