SCHEMBL8944851

SCHEMBL8944851

Cn1ccc2cc(NC(=O)Nc3cccc4ncccc34)ccc21

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.86
HTR2B P41595 10/20 0.86
MAPT P10636 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 3/20 0.61
TP53 P04637 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
RECQL P46063 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
TRPV1 Q8NER1 3/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL7660018 0.93 HTR2C (1.00) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL7098135 0.85 HTR2C (0.76) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL8944931 0.85 MEN1 (0.64) HTR2CHTR2BMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5964203 0.84 HTR2C (0.74) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL9544360 0.84 MAPT (0.65) HTR2CHTR2BMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8944881 0.83 HTR2C (0.69) HTR2CHTR2BMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9400672 0.83 HTR2C (0.65) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL6589222 0.82 HTR2C (0.74) HTR2CHTR2BMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8945116 0.81 HTR2C (0.72) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL8945056 0.81 MAPT (0.67) HTR2CHTR2BMAPTMEN1KMT2A

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-5508288-A Indole derivatives as 5HT1C antagonists SMITHKLINE BEECHAM, P.L.C. (GB) 1996-04-16 US disclosed