SCHEMBL7479561

SCHEMBL7479561

CN1CCc2ccc(N3CCN([C@H]4CC[C@H](N(CC(=O)O)S(=O)(=O)c5ccccc5)CC4)C3=O)cc2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
PRSS1 P07477 1/20 0.36
RAB9A P51151 1/20 0.35
KHK P50053 4/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7467625 0.90 F10 (0.37) F2F10PRSS1KHKALDH1A1
SCHEMBL7476574 0.86 F10 (0.33) F2F10HTR2AHTR2CKHK
Hydrochloric Acid SCHEMBL7480546 0.85 F10 (0.38) F2F10PRSS1KHKPOLB
Hydrochloric Acid SCHEMBL7475209 0.82 KDM4E (0.38) F2F10PRSS1KHKPOLB
SCHEMBL7478466 0.81 F10 (0.37) F2F10PRSS1KHK
SCHEMBL7478455 0.81 F10 (0.37) F2F10PRSS1KHK
SCHEMBL7476624 0.80 F10 (0.36) F2F10PRSS1KHK
SCHEMBL7476632 0.80 F10 (0.36) F2F10PRSS1KHK
SCHEMBL7465362 0.80 F10 (0.37) F2F10PRSS1KHK
Hydrochloric Acid SCHEMBL7559934 0.79 F2 (0.34) F2F10PRSS1KHK

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-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed