SCHEMBL6605635

SCHEMBL6605635

ClCC(Cl)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ANPEP P15144 2/20 0.41
ERAP1 Q9NZ08 2/20 0.41
ERAP2 Q6P179 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ACP3 P15309 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL29187623 0.88 ALDH1A1 (0.48) TSHRALDH1A1HPGDALOX15ALOX12
SCHEMBL7295380 0.80 ALDH1A1 (0.41) TSHRALDH1A1HPGDALOX15ALOX12
SCHEMBL6685679 0.80 TP53 (0.42) TSHRALDH1A1HPGDALOX15ALOX12
SCHEMBL9815437 0.80 TAAR1 (0.46) ALOX15TAAR1KCNH2
SCHEMBL11857706 0.78 TDP1 (0.54) TSHRALDH1A1HPGDALOX15ALOX12
SCHEMBL9819003 0.78 HTR2A (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4237177 0.78 ALDH1A1 (0.48) TSHRALDH1A1HPGDALOX15ALOX12
SCHEMBL19050212 0.77 BLM (0.42) TSHRALDH1A1HPGDALOX15ALOX12
SCHEMBL6685343 0.76 EPHX1 (0.48) HSD17B10ANPEPCYP2A6TAAR1
SCHEMBL7993184 0.76 TDP1 (0.44) TSHRALDH1A1HPGDALOX15ALOX12

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 4 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-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed