SCHEMBL16015137

SCHEMBL16015137

Cc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)N2CCC(C(N)=O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 5/20 0.45
LIPE Q05469 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41
CHRM1 P11229 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL16015140 0.89 LIPE (0.44) TSHRSMN1; SMN2ALDH1A1LIPEGAA
SCHEMBL1334012 0.88 KMT2A (0.48) SMN1; SMN2ALDH1A1GAALMNAGFER
SCHEMBL12124068 0.88 KMT2A (0.48) SMN1; SMN2ALDH1A1GAALMNAGFER
SCHEMBL16015131 0.86 LIPE (0.46) TSHRSMN1; SMN2ALDH1A1LIPELMNA
SCHEMBL16015134 0.85 LIPE (0.44) TSHRSMN1; SMN2LIPENPC1RAB9A
SCHEMBL16015141 0.85 ALDH1A1 (0.53) TSHRSMN1; SMN2ALDH1A1LIPEGAA
SCHEMBL16015132 0.84 POLB (0.52) TSHRALDH1A1LIPEPOLBLMNA
SCHEMBL12124090 0.84 LIPE (0.44) TSHRSMN1; SMN2ALDH1A1LIPEHPGD
SCHEMBL1335621 0.84 LIPE (0.44) TSHRSMN1; SMN2ALDH1A1LIPEHPGD
SCHEMBL16015146 0.82 LIPE (0.43) TSHRSMN1; SMN2LIPENPC1RAB9A

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
US-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed