SCHEMBL5495261

SCHEMBL5495261

O=C(NCC1CC1Cl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
CTSK P43235 2/20 0.54
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HPGD P15428 2/20 0.52
P2RX7 Q99572 1/20 0.50
OPRM1 P35372 1/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
ADRB1 P08588 1/20 0.45
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL2303341 0.77 HDAC3 (0.64) CTSLCTSBCTSKGAASMN1; SMN2
SCHEMBL30426179 0.76 CTSL (0.57) CTSLCTSBCTSKGAASMN1; SMN2
SCHEMBL2356975 0.75 CTSL (0.49) CTSLCTSBCTSKGAASMN1; SMN2
SCHEMBL31414557 0.74 HPGD (0.47) CTSLCTSBCTSKGAASMN1; SMN2
SCHEMBL1116600 0.74 TDP1 (0.53) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL8391563 0.74 SMN1; SMN2 (0.73) CTSLCTSBCTSKSMN1; SMN2NPC1
SCHEMBL10353965 0.74 OPRM1 (0.58) CTSLCTSBCTSKGAASMN1; SMN2
SCHEMBL6154041 0.74 HPGD (0.70) CTSLCTSBCTSKGAASMN1; SMN2
SCHEMBL4956356 0.74 CTSL (0.59) CTSLCTSBCTSKGAASMN1; SMN2
SCHEMBL8393362 0.74 SMN1; SMN2 (0.68) CTSLCTSBCTSKGAASMN1; SMN2

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-1786814-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2007-05-23 EP disclosed
WO-2006021402-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2006-03-02 WO disclosed