SCHEMBL6606515

SCHEMBL6606515

CSCOc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.56
RAB9A P51151 3/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SOD1 P00441 1/20 0.46
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL10358299 0.83 RAB9A (0.62) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL1203917 0.79 MAOB (0.60) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL14303721 0.79 MAOB (0.60) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL13883739 0.79 MAOB (0.64) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL27995539 0.78 MAOB (0.58) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL7162438 0.77 MAOB (0.62) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL30788655 0.76 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL1438757 0.76 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL943678 0.76 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL11667681 0.76 MAOB (0.49) MAOBALDH1A1KMT2AMRGPRX4MEN1

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 7 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
US-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed