SCHEMBL8959781

SCHEMBL8959781

C[C@H](O)Cn1ccc2cc(Cl)ccc21

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.72
HTR2A P28223 9/20 0.72
PRMT5 O14744 2/20 0.53
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ACLY P53396 2/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
NPY5R Q15761 1/20 0.42
OXER1 Q8TDS5 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL8959778 1.00 HTR2C (0.72) HTR2CHTR2APRMT5CYP1A2CYP3A4
SCHEMBL7676168 0.87 HTR2C (0.55) HTR2CHTR2APRMT5CYP1A2CYP3A4
SCHEMBL7676174 0.87 HTR2C (0.55) HTR2CHTR2APRMT5CYP1A2CYP3A4
SCHEMBL4033420 0.87 HTR2C (0.77) HTR2CHTR2APRMT5CYP1A2CYP3A4
SCHEMBL7092716 0.84 HTR2C (1.00) HTR2CHTR2APRMT5CYP1A2CYP3A4
SCHEMBL9232780 0.84 HTR2C (1.00) HTR2CHTR2APRMT5CYP1A2CYP3A4
SCHEMBL8959591 0.84 HTR2C (1.00) HTR2CHTR2APRMT5CYP1A2CYP3A4
SCHEMBL8959709 0.82 HTR2C (0.71) HTR2CHTR2APRMT5CYP1A2CYP3A4
SCHEMBL8959717 0.82 HTR2C (0.71) HTR2CHTR2APRMT5CYP1A2CYP3A4
SCHEMBL8959574 0.81 HTR2C (0.72) HTR2CHTR2APRMT5

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-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 EP disclosed