SCHEMBL3984151

SCHEMBL3984151

CC(C)(C)N1CCC(NCc2ccc(-c3ccc(C(N)=O)cc3)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGDS O60760 1/20 0.39
TP53 P04637 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
DRD4 P21917 1/20 0.36
TACR1 P25103 1/20 0.36
MAP3K11 Q16584 1/20 0.36
USP30 Q70CQ3 1/20 0.36
MTOR P42345 1/20 0.36
PRKAA2 P54646 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL5086233 0.85 GPR119 (0.52) USP30GPR119
SCHEMBL3984090 0.85 CXCR4 (0.42) NPC1RAB9ASMN1; SMN2HPGDSTP53
SCHEMBL5083436 0.76 USP30 (0.45) HPGDSUSP30GPR119
SCHEMBL1346051 0.76 KDM1A (0.47) HPGDSCYP11B1CYP11B2
SCHEMBL1347367 0.76 KDM1A (0.47) HPGDSCYP11B1CYP11B2
SCHEMBL1346050 0.76 KDM1A (0.47) HPGDSCYP11B1CYP11B2
SCHEMBL3984556 0.75 KDM1A (0.47) HPGDSCYP11B1CYP11B2DRD4CXCR4
SCHEMBL3985778 0.75 NPC1 (0.42) NPC1RAB9ASMN1; SMN2HPGDSTP53
SCHEMBL1348274 0.73 KDM1A (0.49) HPGDSCYP11B1CYP11B2CHEK1
SCHEMBL3987206 0.72 GPR119 (0.53) MTORGPR119

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-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed