SCHEMBL6602991

SCHEMBL6602991

[CH2]C(Cl)(Cl)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TAAR1 Q96RJ0 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2A P28223 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MAOA P21397 4/20 0.39
MAOB P27338 3/20 0.39
SIGMAR1 Q99720 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ATM Q13315 1/20 0.38
KEAP1 Q14145 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL5249462 0.80 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL5529047 0.80 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL5529055 0.80 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL8375764 0.76 MAOB (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL28408596 0.76 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL5003745 0.76 TAAR1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11243960 0.76 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL3461930 0.76 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11243923 0.76 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL17288472 0.76 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119355-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-01-08 EP disclosed
US-6500818-B1 Naphthalenecarboxamides as tachykinin receptor antagonists ASTRAZENECA AB (SE) 2002-12-31 US disclosed
CN-1322196-A Naphthalenecarboxamides as tachykinin receptor antagonists ASTRA ZENECA N N (SE) 2001-11-14 CN disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
EP-1119355-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020003-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed