SCHEMBL9200852

SCHEMBL9200852

O=C(O)NC(c1ccccc1)c1ccc2c(ccn2Cc2ccncc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46
HTR6 P50406 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CYP19A1 P11511 1/20 0.42
F10 P00742 1/20 0.42
SLC6A9 P48067 1/20 0.40
MAOB P27338 2/20 0.40
KDM4C Q9H3R0 1/20 0.39
APP P05067 1/20 0.39
NPC1 O15118 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
SCHEMBL8544343 0.77 SLC6A2 (0.53)
SCHEMBL9198601 0.76 SLC6A2 (0.59) CYP19A1F10
SCHEMBL8545162 0.75 SLC6A2 (0.57)
SCHEMBL9196106 0.75 MAOB (0.46) PPARGHTR6HDAC1HDAC2HDAC10
SCHEMBL6840362 0.74 PLG (0.53) HTR6HDAC1HDAC2HDAC10HDAC8
SCHEMBL334423 0.72 ALDH1A1 (0.60) SLC6A9KDM4C
SCHEMBL9200859 0.72 HTR6 (0.50) HTR6HDAC1HDAC2HDAC10HDAC8
SCHEMBL8845761 0.70 HTR6 (0.49) HTR6HDAC1HDAC2HDAC10HDAC8
SCHEMBL11959087 0.70 HTR2A (0.51) HTR6HDAC1HDAC2HDAC8HDAC6
SCHEMBL9200955 0.70 S1PR1 (0.43) HTR6HDAC1HDAC2HDAC10HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471298-B1 Carbamoyl-1-(pyridinylalkyl)-1H-indoles, indolines and related analogs HOECHST ROUSSEL PHARMA (US) 1995-11-02 EP claimed