SCHEMBL8938607

SCHEMBL8938607

CC(C)c1ccc2[nH]c3c(c2c1)CCNC3Cc1cccc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.54
CHRM4 P08173 6/20 0.54
HTR2A P28223 9/20 0.50
HTR2C P28335 6/20 0.50
GRIN2B Q13224 1/20 0.50
DRD2 P14416 3/20 0.49

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
Hydrochloric Acid SCHEMBL8684280 0.85 HTR2B (0.58) HTR7CHRM4HTR2AHTR2CGRIN2B
Hydrochloric Acid SCHEMBL8684071 0.85 HTR2B (0.58) HTR7CHRM4HTR2AHTR2CGRIN2B
SCHEMBL6651828 0.85 HTR7 (0.69) HTR7CHRM4HTR2AHTR2CGRIN2B
SCHEMBL8683890 0.84 HTR7 (0.55) HTR7CHRM4HTR2AHTR2CGRIN2B
SCHEMBL8938572 0.84 HTR7 (0.54) HTR7CHRM4HTR2AHTR2CGRIN2B
SCHEMBL8938673 0.84 HTR7 (0.54) HTR7CHRM4HTR2AHTR2CGRIN2B
Hydrochloric Acid SCHEMBL9393283 0.84 HTR7 (0.68) HTR7CHRM4HTR2AHTR2CGRIN2B
Hydrochloric Acid SCHEMBL8938691 0.82 HTR2A (0.56) HTR7CHRM4HTR2AHTR2CGRIN2B
Hydrochloric Acid SCHEMBL8685881 0.81 HTR2A (0.50) HTR7CHRM4HTR2AHTR2CGRIN2B
SCHEMBL8907026 0.80 HTR7 (0.46) HTR7CHRM4HTR2AHTR2CDRD2

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