SCHEMBL6159023

SCHEMBL6159023

COc1ccc(-c2ccc(C3CCNCC3)c(C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR2C P28335 8/20 0.50
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
NMT1 P30419 1/20 0.42
PLAT P00750 1/20 0.42
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 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
SCHEMBL5584891 0.88 HTR2C (0.59) MEN1KMT2AHTR2CCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6197567 0.83 HTR2C (0.56) MEN1KMT2AHTR2CSLC6A2SLC6A4
SCHEMBL6160494 0.82 SLC6A2 (0.53) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL6872023 0.76 PROKR1 (0.44) MEN1KMT2AHTR2CCHRNB2CHRNA4
SCHEMBL2707057 0.75 HTR2C (0.63) MEN1KMT2AHTR2CSLC6A2SLC6A4
SCHEMBL13614313 0.75 OPRL1 (0.38) CHRNB2CHRNA4ABL1ABCB1BCR
SCHEMBL5534626 0.74 HTR2C (0.61) HTR2CCHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL1529068 0.74 HTR2C (0.58) MEN1KMT2AHTR2CSLC6A2SLC6A4
SCHEMBL22324792 0.74 HTR2C (0.58) MEN1KMT2AHTR2CCHRNB2CHRNA4
SCHEMBL24954120 0.73 HTR2C (0.56) MEN1KMT2AHTR2CSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed