SCHEMBL6159549

SCHEMBL6159549

CC(=O)OCCC(Cn1cnnc1-c1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.41
NOTUM Q6P988 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP26A1 O43174 1/20 0.33

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
SCHEMBL6160613 0.85 CA12 (0.41) TACR2NOTUMLMNAMAPTCYP1A2
SCHEMBL6159385 0.84 L3MBTL1 (0.37) TACR2ALDH1A1
SCHEMBL6160308 0.79 TSHR (0.35) TACR2LMNAMAPTALDH1A1
SCHEMBL6160860 0.76 TACR2 (0.62) TACR2
SCHEMBL8425243 0.73 TACR2 (0.34) TACR2
SCHEMBL7045680 0.70 TACR2 (0.47) TACR2LMNAMAPTMEN1KMT2A
SCHEMBL5866364 0.70 TACR2 (0.47) TACR2LMNAMAPTMEN1KMT2A
SCHEMBL7046387 0.70 TACR2 (0.56) TACR2
SCHEMBL7046390 0.70 TACR2 (0.56) TACR2
Hydrochloric Acid SCHEMBL8425483 0.68 MCHR1 (0.33) TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP disclosed
US-6355695-B1 ANTIHISTAMINES; ASTHMA THERAPY ZENECA LIMITED (SE) 2002-03-12 US disclosed
US-6235757-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2001-05-22 US disclosed
US-6051580-A Substituted heterocycles ZENECA LIMITED 2000-04-18 US disclosed
US-5889024-A Substituted heterocycles ZENECA LIMITED (GB) 1999-03-30 US disclosed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP disclosed