SCHEMBL7358948

SCHEMBL7358948

Cc1ccc2[nH]cc(CCCCN3CCCC(Cc4ccccc4)C3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
HTR1D P28221 5/20 0.54
HTR1B P28222 5/20 0.54
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL6957729 0.89 MPO (0.61) HTR1AHTR1DHTR1BHTR2ASLC6A4
SCHEMBL6951363 0.89 HTR1A (0.55) HTR1AHTR1DHTR1BMEN1LMNA
SCHEMBL6952634 0.89 MPO (0.61) HTR1AHTR1DHTR1BHTR2ASLC6A4
SCHEMBL6958552 0.89 MPO (0.61) HTR1AHTR1DHTR1BHTR2ASLC6A4
SCHEMBL6950516 0.88 HTR1A (0.56) HTR1AHTR1DHTR1BCARM1PRMT6
SCHEMBL6954556 0.88 HTR1A (0.60) HTR1AHTR1BHTR2ASLC6A4
SCHEMBL6954396 0.87 HTR1D (0.50) HTR1AHTR1DHTR1BSLC6A4
SCHEMBL6957708 0.86 SLC6A4 (0.61) HTR1ASLC6A4
SCHEMBL6954897 0.86 SLC6A4 (0.61) HTR1ASLC6A4
SCHEMBL6947723 0.86 KDM4E (0.58) HTR1AHTR1DHTR1BKMT2ASLC6A4

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 disclosed
WO-1998057953-A1 3-BENZYLPIPERIDINE MERCK PATENT GMBH (DE) 1998-12-23 WO disclosed