SCHEMBL6579253

SCHEMBL6579253

O=C(OCC[C@@H](Cn1ccnc1C(=O)c1cccc2c1CCCC2)c1ccc(Cl)c(Cl)c1)c1cccc2c1CCCC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HCRTR2 O43614 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TACR2 P21452 1/20 0.30

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
SCHEMBL6579943 1.00 MEN1 (0.33) MEN1KMT2AHCRTR2ALDH1A1LMNA
SCHEMBL6579463 0.90 TACR2 (0.33) HCRTR2ALDH1A1LMNAHPGDATM
SCHEMBL8142664 0.90 TACR2 (0.33) HCRTR2ALDH1A1LMNAHPGDATM
SCHEMBL6577365 0.90 TACR2 (0.33) HCRTR2ALDH1A1LMNAHPGDATM
SCHEMBL6579201 0.88 HCRTR2 (0.33) HCRTR2ALDH1A1LMNAHPGDATM
SCHEMBL6579663 0.88 HCRTR2 (0.33) HCRTR2ALDH1A1LMNAHPGDATM
SCHEMBL6577333 0.77 TACR2 (0.32) TACR2
SCHEMBL6577217 0.77 TACR2 (0.32) TACR2
SCHEMBL6579767 0.75 TDP1 (0.32) MEN1KMT2AALDH1A1TACR2
SCHEMBL6581521 0.74 UTS2R (0.38) KMT2AALDH1A1SMN1; SMN2

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-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