SCHEMBL3377844

SCHEMBL3377844

COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(OC)cc34)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 1.00
ADRA2B P18089 1/20 1.00
ADRA2C P18825 1/20 1.00
ADRA1D P25100 1/20 1.00
ADRA1A P35348 1/20 1.00
ADRA1B P35368 1/20 1.00
HTR1A P08908 1/20 0.79

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
SCHEMBL9696696 0.93 ADRA2A (0.86) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8543848 0.92 ADRA2A (0.85) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8540633 0.90 ADRA2A (0.82) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9698298 0.90 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9696706 0.90 ADRA2A (0.80) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8542507 0.90 ADRA2A (0.80) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14761542 0.89 ADRA2A (0.80) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8537885 0.89 ADRA2A (0.80) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17242001 0.89 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL29515688 0.89 HTR1A (0.82) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106850-A INDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-21 US claimed
JP-3052859-A None JP disclosed
WO-2012002583-A1 METHOD FOR TREATING SCHIZOPHRENIA AND RELATED DISEASES WITH A COMBINATION THERAPY VANDERBILT UNIVERSITY (US) 2012-01-05 WO disclosed
US-20040023948-A1 Fast-dispersing dosage form containing 5-HT1 agonists CATALENT USA PAINTBALL, INC. 2004-02-05 US disclosed
EP-0969842-A1 PHARMACEUTICAL COMPOSITION R.P. Scherer Limited (GB) 2000-01-12 EP disclosed
WO-1998042344-A1 PHARMACEUTICAL COMPOSITION R. P. SCHERER LIMITED (GB) 1998-10-01 WO disclosed
US-5106850-A INDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-21 US disclosed
JP-H0352859-A INDOLE DERIVATIVE MERCK PATENT GMBH 1991-03-07 JP disclosed