SCHEMBL13797653

SCHEMBL13797653

CN(C)c1nc(Nc2ccc(NC(=O)c3ccc(-c4ccccc4)s3)cc2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
TP53 P04637 3/20 0.53
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ESRRG P62508 6/20 0.48
PTPN1 P18031 1/20 0.48
PTPN11 Q06124 1/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL13797648 0.89 NPC1 (0.56) RXFP1NPC1RAB9APPARGNCOA2
SCHEMBL13797641 0.80 MEN1 (0.50) RXFP1NPC1RAB9ATP53MAPT
SCHEMBL13797658 0.79 TDP1 (0.60) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL13796619 0.77 CTNNB1 (0.52) RXFP1NPC1RAB9ATP53MAPT
SCHEMBL13797659 0.77 MEN1 (0.62) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL13797645 0.77 KDM4E (0.51) NPC1RAB9ATP53MAPTKDM4E
SCHEMBL13797657 0.77 DGAT1 (0.54) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL13797655 0.76 PLAU (0.57) NPC1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL3947644 0.76 TP53 (0.51) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL13797656 0.75 ADORA3 (0.54) NPC1RAB9ATP53MAPTSMN1; SMN2

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
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed