SCHEMBL5246557

SCHEMBL5246557

O=C(NCc1ccc(F)cc1)C1(N2CCNCC2)Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MMP8 P22894 1/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 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 SCHEMBL4830172 0.99 KMT2A (0.47) NPC1KMT2AMEN1MMP8RAB9A
SCHEMBL5246174 0.91 MMP8 (0.53) KMT2AMEN1MMP8ALDH1A1SMN1; SMN2
SCHEMBL4834954 0.91 METAP2 (0.47) NPC1KMT2AMEN1MMP8
Hydrochloric Acid SCHEMBL4834764 0.90 MMP8 (0.52) KMT2AMEN1MMP8ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4836273 0.90 METAP2 (0.47) NPC1KMT2AMEN1MMP8
SCHEMBL5246115 0.88 MMP8 (0.47) KMT2AMEN1MMP8ALDH1A1LMNA
SCHEMBL5245143 0.88 MMP8 (0.47) NPC1KMT2AMEN1MMP8RAB9A
SCHEMBL5244674 0.88 KMT2A (0.48) KMT2AMEN1MMP8POLBALDH1A1
SCHEMBL5248547 0.88 SMN1; SMN2 (0.48) NPC1KMT2AMEN1MMP8RAB9A
SCHEMBL5248595 0.87 TACR1 (0.47) MMP8

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