SCHEMBL8938539

SCHEMBL8938539

Cc1ccc2[nH]c3c(c2c1)CCNC3C(C)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.48
HTR2C P28335 15/20 0.48
HTR2B P41595 5/20 0.45
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8938594 1.00 HTR2A (0.48) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL8938634 0.87 HTR2A (0.46) HTR2AHTR2CALDH1A1
SCHEMBL8938706 0.87 HTR2A (0.46) HTR2AHTR2CALDH1A1
Hydrochloric Acid SCHEMBL8938525 0.86 HTR2A (0.48) HTR2AHTR2CALDH1A1
SCHEMBL8907687 0.85 HTR2A (0.42) HTR2AHTR2CHTR2B
SCHEMBL8906418 0.85 HTR2C (0.42) HTR2AHTR2CHTR2B
SCHEMBL9413333 0.84 HTR2A (0.42) HTR2AHTR2CHTR2B
SCHEMBL23116683 0.80 HTR2A (0.53) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL8907078 0.79 HTR2A (0.41) HTR2AHTR2CHTR2B
SCHEMBL8907317 0.76 HTR7 (0.44) HTR2AHTR2CALDH1A1

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 7 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
US-5538981-A 5-HYDROXYTRYPTAMINE RECEPTOR ANTAGONIST ACTIVITY ELI LILLY AND COMPANY (US) 1996-07-23 US disclosed
US-5538980-A CENTRAL NERVOUS SYSTEM ELI LILLY AND COMPANY (US) 1996-07-23 US disclosed
US-5488053-A Tetrahydro-pyrido-indole ELI LILLY AND COMPANY (US) 1996-01-30 US disclosed
EP-0620223-A2 Tetrahydro-pyrido-indole ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed
US-5300645-A Condensation of cycloalkyl-, phenyl- or naphthylpyrrole ethylamines with a 2-oxazolidinone to get antiserotonine agent ELI LILLY AND COMPANY (US) 1994-04-05 US disclosed