SCHEMBL5057409

SCHEMBL5057409

NCCNCCCC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.59
CYP1A2 P05177 2/20 0.46
CA12 O43570 4/20 0.46
CA6 P23280 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA5A P35218 3/20 0.46
CA3 P07451 2/20 0.46
MEN1 O00255 2/20 0.43
RECQL P46063 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
CA1 P00915 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL23131807 1.00 SIGMAR1 (0.59) SIGMAR1CYP1A2CA12CA6CA7
SCHEMBL21173520 1.00 SIGMAR1 (0.59) SIGMAR1CYP1A2CA12CA6CA7
SCHEMBL18823178 1.00 SIGMAR1 (0.59) SIGMAR1CYP1A2CA12CA6CA7
SCHEMBL18430893 1.00 SIGMAR1 (0.59) SIGMAR1CYP1A2CA12CA6CA7
SCHEMBL18531456 1.00 SIGMAR1 (0.59) SIGMAR1CYP1A2CA12CA6CA7
SCHEMBL21173521 0.98 SIGMAR1 (0.57) SIGMAR1CYP1A2CA12CA6CA7
SCHEMBL21709914 0.98 SIGMAR1 (0.57) SIGMAR1CYP1A2CA12CA6CA7
SCHEMBL18430248 0.98 SIGMAR1 (0.57) SIGMAR1CYP1A2CA12CA6CA7
SCHEMBL20017646 0.98 SIGMAR1 (0.57) SIGMAR1CYP1A2CA12CA6CA7
SCHEMBL18430891 0.98 SIGMAR1 (0.57) SIGMAR1CYP1A2CA12CA6CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143718-A1 PROCESS OF MAKING SOMATOSTATIN MODULATORS Crinetics Pharmaceuticals, Inc. (US) 2019-07-25 WO disclosed
EP-2648726-B1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2018-04-04 EP disclosed
US-20080108773-A1 Polyurethane dispersions containing POSS nanoparticles SOUTHERN MISSISSIPPI, UNIVERSITY OF, THE 2008-05-08 US disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed