SCHEMBL5027370

SCHEMBL5027370

NC(=O)N1CCN(C(=O)[CH]COCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.50
GRM5 P41594 7/20 0.46
LTA4H P09960 1/20 0.44
TACR1 P25103 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7371853 0.78 LTA4H (0.54) LTA4HHTTNPC1RAB9A
SCHEMBL8194361 0.74 LTA4H (0.52) LTA4HHTTMEN1KMT2ANPC1
Diphenylmethane SCHEMBL28522550 0.73 LTA4H (0.64) LTA4HSMN1; SMN2NPSR1ALDH1A1HTT
SCHEMBL5499571 0.73 TSHR (0.54) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL3581957 0.71 TSHR (0.42) CYP2C19ALDH1A1MEN1KMT2ANPC1
SCHEMBL5139257 0.70 PARP10 (0.42) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL6161203 0.70 MAPK1 (0.40) TEAD3SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4088849 0.69 TSHR (0.48) CYP2C19ALDH1A1HTTMEN1KMT2A
SCHEMBL3222136 0.69 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
Carbamic Acid SCHEMBL119806 0.69 TSHR (0.71) CYP2C19ALDH1A1MEN1KMT2ANPC1

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-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP disclosed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 WO disclosed