SCHEMBL5765666

SCHEMBL5765666

C=C1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PREP P48147 4/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTR2C P28335 1/20 0.45
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN1 P18031 1/20 0.44
ELANE P08246 1/20 0.43

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
SCHEMBL5765672 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9APREPPSEN1
SCHEMBL11174846 0.88 NPC1 (0.51) SMN1; SMN2NPC1RAB9APREPPSEN1
SCHEMBL202453 0.87 NPSR1 (0.48) SMN1; SMN2NPC1RAB9APREPNPSR1
SCHEMBL202452 0.87 NPSR1 (0.48) SMN1; SMN2NPC1RAB9APREPNPSR1
SCHEMBL25344606 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPPSEN1
SCHEMBL636520 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPPSEN1
SCHEMBL4847560 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPPSEN1
SCHEMBL12608462 0.84 HTR2C (0.44) SMN1; SMN2NPC1RAB9APREPPSEN1
SCHEMBL6184485 0.84 PREP (0.41) SMN1; SMN2NPC1RAB9APREPPSEN1
SCHEMBL14496579 0.84 HTR2C (0.44) SMN1; SMN2NPC1RAB9APREPPSEN1

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
EP-2883876-A1 Stereoselective synthesis of substituted pyrrolidines Actelion Pharmaceuticals Ltd. (CH) 2015-06-17 EP disclosed
US-7265105-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-09-04 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
EP-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 EP disclosed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 US disclosed
US-4377701-A 4-Methylene-1-[[(alranoyl or arylcarbonyl)mercapto]acyl]proline and pipecolic acid E. R. SQUIBB & SONS, INC. (US) 1983-03-22 US disclosed