SCHEMBL7667342

SCHEMBL7667342

O=Cc1cc(Cl)ccc1OCC1CCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
HTR6 P50406 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGER1 P34995 9/20 0.48
HPGD P15428 3/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
ERN1 O75460 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5472935 0.98 SLC6A4 (0.53) SLC6A4HTR6MEN1KMT2APTGER1
SCHEMBL5628332 0.97 SLC6A4 (0.55) SLC6A4HTR6MEN1KMT2APTGER1
SCHEMBL18783932 0.95 MEN1 (0.49) SLC6A4HTR6MEN1KMT2APTGER1
SCHEMBL30902367 0.95 MEN1 (0.49) SLC6A4HTR6MEN1KMT2APTGER1
SCHEMBL2424456 0.89 MEN1 (0.45) SLC6A4HTR6MEN1KMT2APTGER1
SCHEMBL16150607 0.83 HTR2C (0.46) SLC6A4HTR6MEN1KMT2APTGER1
SCHEMBL5463136 0.81 PTGDR2 (0.55) SLC6A4HTR6PTGER1HPGDERN1
SCHEMBL12462495 0.81 PARP10 (0.51) HPGD
SCHEMBL6979170 0.81 ALDH1A1 (0.43) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL1042450 0.81 ALDH1A1 (0.43) MEN1KMT2AHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365603-B1 FOR THERAPY OF PAIN SUCH AS THE PAIN ASSOCIATED WITH JOINT CONDITIONS SUCH AS RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POSTOPERATIVE PAIN, POSTPARTUM PAIN, THE PAIN ASSOCIATED WITH DENTAL CONDITIONS SUCH AS DENTAL CARIES AND GINGIVITIS, ETC. ZENECA LTD. (GB) 2002-04-02 US disclosed
EP-0835246-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-10-24 EP disclosed
US-5994353-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1999-11-30 US disclosed
EP-0835246-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-15 EP disclosed
WO-1997000863-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO disclosed