SCHEMBL5246115

SCHEMBL5246115

O=C(NCc1ccc(-c2ccccc2)cc1)C1(N2CCNCC2)Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.47
BACE1 P56817 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
RORC P51449 2/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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 SCHEMBL4830313 0.99 MMP8 (0.46) MMP8BACE1ALDH1A1LMNAMEN1
SCHEMBL5246174 0.94 MMP8 (0.53) MMP8ALDH1A1MEN1KMT2AATM
Hydrochloric Acid SCHEMBL4834764 0.93 MMP8 (0.52) MMP8ALDH1A1MEN1KMT2AATM
SCHEMBL5246557 0.88 NPC1 (0.48) MMP8ALDH1A1LMNAMEN1KMT2A
SCHEMBL5244674 0.88 KMT2A (0.48) MMP8ALDH1A1LMNAMEN1KMT2A
SCHEMBL5245143 0.88 MMP8 (0.47) MMP8ALDH1A1MEN1KMT2AMAPT
SCHEMBL5248547 0.88 SMN1; SMN2 (0.48) MMP8ALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL4830172 0.87 KMT2A (0.47) MMP8ALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL4827301 0.87 MMP8 (0.46) MMP8ALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4826419 0.87 SMN1; SMN2 (0.47) MMP8ALDH1A1LMNAMEN1KMT2A

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-1707564-B1 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-09-12 EP disclosed
EP-1707564-A2 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-10-04 EP disclosed