SCHEMBL6603778

SCHEMBL6603778

CSc1cc(Cl)ccc1C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
TRPC3 Q13507 1/20 0.49
TRPC7 Q9HCX4 1/20 0.49
UTS2R Q9UKP6 1/20 0.49
HTT P42858 1/20 0.47
CCR1 P32246 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
PDE4B Q07343 1/20 0.45
GRIN2B Q13224 4/20 0.44
GRM5 P41594 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
ENPP2 Q13822 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
SCHEMBL6605018 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6613095 0.87 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6603252 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL29087407 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL1093313 0.82 PDE4B (0.57) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL6605396 0.82 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6603033 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL6603028 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL7669575 0.81 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL7675701 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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