SCHEMBL7356374

SCHEMBL7356374

O=C(O)Oc1ccc2[nH]cc(CCCCN3CCCC(Cc4ccccc4)C3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
SLC6A4 P31645 1/20 0.51
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 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
SCHEMBL7355825 0.93 MPO (0.48) HTR1ASLC6A4
SCHEMBL7356533 0.93 ADRA2A (0.46) HTR1ASLC6A4HTR1DHTR1B
SCHEMBL7350360 0.93 ADRA2A (0.54) HTR1ASLC6A4
SCHEMBL7352278 0.93 BCHE (0.47) HTR1ASLC6A4
SCHEMBL6958383 0.92 HTR1A (0.52) HTR1ASLC6A4
SCHEMBL7384064 0.90 HTR1A (0.48) HTR1ASLC6A4
SCHEMBL6954556 0.89 HTR1A (0.60) HTR1ASLC6A4HTR1B
SCHEMBL6954396 0.87 HTR1D (0.50) HTR1ASLC6A4HTR1DHTR1B
SCHEMBL6947723 0.87 KDM4E (0.58) HTR1ASLC6A4HTR1DHTR1B
SCHEMBL7355747 0.86 BCHE (0.41) HTR1ASLC6A4

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
EP-0993458-A1 3-BENZYLPIPERIDINE MERCK PATENT GmbH (DE) 2000-04-19 EP claimed
WO-1998057953-A1 3-BENZYLPIPERIDINE MERCK PATENT GMBH (DE) 1998-12-23 WO claimed