SCHEMBL8938622

SCHEMBL8938622

CCN(CC)c1cc(C(C)C2NCCc3c2[nH]c2ccc(C(C)(C)C)cc32)c2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.40
HTR2C P28335 13/20 0.40
PRMT5 O14744 1/20 0.39
EGFR P00533 1/20 0.39
S1PR1 P21453 1/20 0.36
KIF11 P52732 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR7 P34969 1/20 0.33

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
SCHEMBL8938706 0.85 HTR2A (0.46) HTR2AHTR2CPRMT5EGFRS1PR1
SCHEMBL8938634 0.85 HTR2A (0.46) HTR2AHTR2CPRMT5EGFRS1PR1
Hydrochloric Acid SCHEMBL8938525 0.84 HTR2A (0.48) HTR2AHTR2CPRMT5EGFRS1PR1
SCHEMBL9413333 0.73 HTR2A (0.42) HTR2AHTR2C
SCHEMBL8938539 0.72 HTR2A (0.48) HTR2AHTR2C
SCHEMBL8938594 0.72 HTR2A (0.48) HTR2AHTR2C
SCHEMBL8938673 0.69 HTR7 (0.54) HTR2AHTR2CS1PR1HTR7
SCHEMBL8938572 0.69 HTR7 (0.54) HTR2AHTR2CS1PR1HTR7
SCHEMBL9393339 0.68 HTR2A (0.52) HTR2AHTR2CS1PR1HTR7
SCHEMBL9391743 0.68 HTR2A (0.52) HTR2AHTR2CS1PR1HTR7

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-5538981-A 5-HYDROXYTRYPTAMINE RECEPTOR ANTAGONIST ACTIVITY ELI LILLY AND COMPANY (US) 1996-07-23 US claimed
EP-0620223-A2 Tetrahydro-pyrido-indole ELI LILLY AND COMPANY (US) 1994-10-19 EP claimed