SCHEMBL7820941

SCHEMBL7820941

O=C(O)c1ccc(C(=O)Cc2ccccn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.73
NPC1 O15118 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
SRD5A2 P31213 2/20 0.53
POLB P06746 3/20 0.49
IDO1 P14902 1/20 0.49
LMNA P02545 2/20 0.48
PTPRA P18433 1/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
PARP10 Q53GL7 1/20 0.45
MAPK14 Q16539 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2051943 0.91 RAB9A (0.75) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL6011931 0.91 RAB9A (0.75) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
Bromide SCHEMBL28156394 0.89 RAB9A (0.73) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL28172864 0.89 RAB9A (0.73) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL29017606 0.89 RAB9A (0.73) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL30333799 0.89 RAB9A (0.73) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL29986829 0.89 RAB9A (0.73) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL11622188 0.89 RAB9A (0.73) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
Oxalic Acid SCHEMBL28255025 0.88 RAB9A (0.71) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL5949109 0.85 RAB9A (0.71) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed