SCHEMBL19986704

SCHEMBL19986704

O=C(Nc1ccc(Cl)c(F)c1)N[C@@H]1CCCC[C@H]1Nc1c(Cl)cncc1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
FPR1 P21462 1/20 0.43
FPR2 P25090 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
EPHX2 P34913 1/20 0.42
TRPA1 O75762 1/20 0.42
SLC2A1 P11166 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL28626555 1.00 SSTR3 (0.50) SSTR3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19986702 1.00 SSTR3 (0.50) SSTR3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28626556 1.00 SSTR3 (0.50) SSTR3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19986449 0.93 NPC1 (0.56) SSTR3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19986451 0.93 NPC1 (0.56) SSTR3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19986632 0.91 KMT2A (0.59) SSTR3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19986586 0.91 KMT2A (0.59) SSTR3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19986659 0.91 KMT2A (0.59) SSTR3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28630091 0.91 KMT2A (0.59) SSTR3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28629552 0.91 KMT2A (0.59) SSTR3NPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018050110-A1 NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR 正大天晴药业集团股份有限公司 2018-03-22 WO disclosed