SCHEMBL9819757

SCHEMBL9819757

CCC[N]c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
CYP2A6 P11509 5/20 0.45
CYP1A2 P05177 3/20 0.45
MEN1 O00255 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 4/20 0.44
HSP90AA1 P07900 3/20 0.44
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
SLC6A4 P31645 1/20 0.37
PPARG P37231 2/20 0.36

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
SCHEMBL9819772 0.89 NPC1 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL919684 0.83 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL95534 0.73 ALDH1A1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6686243 0.73 NPC1 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6686250 0.73 NPC1 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11762909 0.72 MEN1 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1680572 0.72 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1354442 0.71 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3283287 0.71 MEN1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10017620 0.71 MEN1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C

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-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed