SCHEMBL9464205

SCHEMBL9464205

Cn1c(=O)oc2cc(CCCN3CCCC3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.61
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.50
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL9464220 0.99 HTR1A (0.60) HTR1ATP53MAPK1SLC6A2SLC6A4
SCHEMBL9464567 0.91 HTR1A (0.62) HTR1ATP53MAPK1SLC6A2SLC6A4
SCHEMBL9463688 0.90 HTR1A (0.59) HTR1ATP53MAPK1SLC6A2SLC6A4
SCHEMBL10393710 0.85 HTR1A (0.67) HTR1ASLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL9463870 0.84 HTR1A (0.53) HTR1ATP53MAPK1SLC6A2SLC6A4
SCHEMBL10392906 0.83 HTR1A (0.62) HTR1AMAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL9464160 0.81 KDM4E (0.51) HTR1ASLC6A2SLC6A4SLC6A3PKM
SCHEMBL10393719 0.81 HTR1A (0.51) HTR1AMAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL10394035 0.80 HTR1A (0.62) HTR1ASLC6A2SLC6A4SLC6A3POLB
SCHEMBL8870844 0.80 SIGMAR1 (0.66) HTR1ATP53TSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132305-A Analgesics ADIR ET COMPAGNIE (FR) 1992-07-21 US claimed
US-5182278-A Arterial hypotensive agents ADIR ET COMPAGNIE (FR) 1993-01-26 US disclosed
US-5132305-A Analgesics ADIR ET COMPAGNIE (FR) 1992-07-21 US disclosed