SCHEMBL6579463

SCHEMBL6579463

O=C(c1cccc2c1CCCC2)c1nccn1C[C@@H](CCO)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 8/20 0.33
HCRTR2 O43614 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGER4 P35408 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
CTSL P07711 1/20 0.31
TACR1 P25103 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
SCHEMBL8142664 1.00 TACR2 (0.33) TACR2HCRTR2GPR139LMNASMN1; SMN2
SCHEMBL6577365 1.00 TACR2 (0.33) TACR2HCRTR2GPR139LMNASMN1; SMN2
SCHEMBL6579943 0.90 MEN1 (0.33) TACR2HCRTR2LMNASMN1; SMN2ALDH1A1
SCHEMBL6579253 0.90 MEN1 (0.33) TACR2HCRTR2LMNASMN1; SMN2ALDH1A1
SCHEMBL6579201 0.88 HCRTR2 (0.33) TACR2HCRTR2GPR139LMNASMN1; SMN2
SCHEMBL6579663 0.88 HCRTR2 (0.33) TACR2HCRTR2GPR139LMNASMN1; SMN2
SCHEMBL6577217 0.81 TACR2 (0.32) TACR2TACR1
SCHEMBL6577333 0.81 TACR2 (0.32) TACR2TACR1
SCHEMBL6579045 0.80 RORC (0.41) TACR2
SCHEMBL6579784 0.80 ESRRA (0.38) TACR2TACR1

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