SCHEMBL7971282

SCHEMBL7971282

CC(C)c1ccc2sc(C3CCNCC3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
SCN4A P35499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR9 Q9NR96 5/20 0.36
TLR8 Q9NR97 5/20 0.36
TLR7 Q9NYK1 5/20 0.36
KCNH2 Q12809 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 2/20 0.34
EP300 Q09472 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL13058143 0.86 RAB9A (0.46) RAB9ANPC1KMT2AMEN1SCN4A
SCHEMBL20135675 0.82 NPC1 (0.68) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL29688848 0.82 NPC1 (0.68) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL12209530 0.79 NPC1 (0.97) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL7967354 0.79 NPC1 (0.68) RAB9ANPC1KMT2AMEN1KCNH2
SCHEMBL25922623 0.79 NPC1 (0.68) RAB9ANPC1KMT2AMEN1KCNH2
SCHEMBL30551597 0.78 NPC1 (0.94) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL2708511 0.76 NPC1 (0.64) RAB9ANPC1KMT2AMEN1SCN4A
SCHEMBL2710382 0.75 KMT2A (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL7954797 0.75 TLR9 (0.44) RAB9ANPC1KMT2AMEN1TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed