SCHEMBL9703865

SCHEMBL9703865

O=C(O)C1CC=C(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.60
KDM4E B2RXH2 4/20 0.50
ALOX15 P16050 4/20 0.50
HSD17B10 Q99714 2/20 0.50
DRD2 P14416 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HTR2C P28335 1/20 0.50
LMNA P02545 3/20 0.47
HTR1A P08908 3/20 0.47
POLB P06746 1/20 0.47
HTR6 P50406 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.45
TDO2 P48775 1/20 0.45
HTR2A P28223 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTR1D P28221 7/20 0.44
ROCK2 O75116 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
SCHEMBL2522501 0.77 CDK9 (0.47) KDM4EALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL2522495 0.77 CDK9 (0.47) KDM4EALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL7481973 0.76 SLC6A4 (0.62) SLC6A4KDM4EALOX15HSD17B10DRD2
SCHEMBL19746393 0.75 NPC1 (0.46) ALDH1A1LMNANPC1RAB9A
SCHEMBL31060978 0.75 SLC6A4 (1.00) SLC6A4KDM4EALOX15HSD17B10DRD2
SCHEMBL10984508 0.74 HTR2A (0.54) KDM4EALDH1A1HTR2CHTR6HTR2A
SCHEMBL1762824 0.73 CDK9 (0.39) SLC6A4HTR1AHTR1DHTR1E
SCHEMBL18324889 0.73 LMNA (0.58) SLC6A4KDM4EALOX15HSD17B10DRD2
SCHEMBL9703857 0.71 CDK9 (0.49) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL28097296 0.71 LMNA (0.64) SLC6A4KDM4EALOX15HSD17B10DRD2

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
WO-1992012977-A1 SUBSTITUTED INDOLES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-06 WO disclosed
US-5124332-A Dopaminergic agents, hypotensive agents WARNER-LAMBERT COMPANY (US) 1992-06-23 US disclosed