SCHEMBL8443740

SCHEMBL8443740

OC1(N2CC=C(c3cccc4c3OCCO4)CC2)CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.52
SLC6A4 P31645 4/20 0.37
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 1/20 0.33
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL8440322 0.87 HTR1A (0.56) HTR1ASLC6A4
SCHEMBL8440427 0.77 HTR1A (0.43) HTR1ASLC6A4ALDH1A1LMNACYP3A4
SCHEMBL8442339 0.76 HTR1A (0.54) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL8443738 0.74 HTR1A (0.53) HTR1A
SCHEMBL6964022 0.68 HTR1A (1.00) HTR1A
SCHEMBL6964024 0.68 HTR1A (1.00) HTR1A
SCHEMBL6976115 0.68 HTR1A (1.00) HTR1A
SCHEMBL8544064 0.68 HTR1A (0.51) HTR1ASLC6A4
SCHEMBL9323906 0.67 HTR1A (0.49) HTR1ASLC6A4
SCHEMBL8443885 0.67 HTR1A (0.41) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958927-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1999-09-28 US disclosed