SCHEMBL6579271

SCHEMBL6579271

O=C(c1ccccc1C(F)(F)F)c1nccn1CC(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
RORC P51449 4/20 0.34
KDM4C Q9H3R0 1/20 0.34
SLC6A3 Q01959 4/20 0.34
TACR2 P21452 4/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
WDR5 P61964 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL6579428 0.89 SLC6A3 (0.37) MCHR1KDM4CSLC6A3TACR2
SCHEMBL6579809 0.84 KDM4C (0.36) MCHR1KDM4CSLC6A3TACR2MEN1
SCHEMBL6579045 0.82 RORC (0.41) MCHR1RORCTACR2WDR5P2RX7
SCHEMBL6579334 0.72 CYP8B1 (0.43) KDM4CSLC6A3TACR2L3MBTL1
SCHEMBL6579345 0.71 SLC6A3 (0.45) KDM4CSLC6A3MEN1KMT2AL3MBTL1
SCHEMBL6579943 0.71 MEN1 (0.33) TACR2MEN1KMT2AL3MBTL1
SCHEMBL6579456 0.70 S1PR3 (0.36) SLC6A3
SCHEMBL6422995 0.70 TACR2 (0.58) TACR2
SCHEMBL6579784 0.69 ESRRA (0.38) RORCSLC6A3TACR2KMT2AWDR5
SCHEMBL5866431 0.69 MCHR1 (0.44) MCHR1SLC6A3TACR2MEN1KMT2A

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
EP-0994876-B1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2004-09-08 EP disclosed
US-6380396-B1 CHEMICAL INTERMEDIATES FOR ANTIINFLAMMATORY AGENTS PFIZER INC. 2002-04-30 US disclosed
US-6207678-B1 USED FOR TREATING INFLAMMATORY DISEASE SUCH AS ARTHRITIS, PSORIASIS, ASTHMA OR INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM DISORDER SUCH AS ANXIETY, DEPRESSION, DEMENTIA OR PSYCHOSIS, GASTROINTESTINAL DISORDERS PFIZER INC 2001-03-27 US disclosed
EP-0994876-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2000-04-26 EP disclosed
WO-1998057972-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1998-12-23 WO disclosed