SCHEMBL10748232

SCHEMBL10748232

NCC1CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.66
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC2A1 P11166 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
RB1 P06400 3/20 0.45
SSTR3 P32745 1/20 0.44
KCNH2 Q12809 1/20 0.44
CHRNA7 P36544 1/20 0.43
DRD1 P21728 2/20 0.43
DRD5 P21918 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL10746196 0.85 NR2E1 (0.61) NR2E1HTR2AHTR2CTP53HPGD
SCHEMBL10746281 0.85 NR2E1 (0.61) NR2E1HTR2AHTR2CTP53HPGD
SCHEMBL10746930 0.85 NR2E1 (0.61) NR2E1HTR2AHTR2CTP53HPGD
SCHEMBL30463364 0.85 NR2E1 (0.61) NR2E1HTR2AHTR2CTP53HPGD
SCHEMBL10747530 0.85 NR2E1 (0.61) NR2E1HTR2AHTR2CTP53HPGD
SCHEMBL10746883 0.82 NR2E1 (0.58) NR2E1HTR2AHTR2CTP53HPGD
SCHEMBL19414190 0.82 NR2E1 (0.58) NR2E1HTR2AHTR2CTP53HPGD
SCHEMBL30463365 0.82 NR2E1 (0.58) NR2E1HTR2AHTR2CTP53HPGD
SCHEMBL4902847 0.80 SIRT1 (0.52) NR2E1HTR2AHTR2C
SCHEMBL4900711 0.80 VPS4B (0.58) HTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4698351-A Tetrahydrocarbazole derivatives and pharmaceutical compositions MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1987-10-06 US disclosed
US-4618614-A Method of treating psychosis using tetrahydrocarbazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-21 US disclosed
US-4547576-A Tetrahydrocarbazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-10-15 US disclosed
EP-0115607-A1 Tetrahydrocarbazol derivatives MERCK PATENT GmbH (DE) 1984-08-15 EP disclosed