SCHEMBL6054528

SCHEMBL6054528

Cc1cccc(C)c1CNC(=O)C1CCCCN1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.54
HTR2C P28335 7/20 0.53
HTR2B P41595 4/20 0.53
SCN4A P35499 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PRCP P42785 1/20 0.44
TGFBR1 P36897 2/20 0.42
HTR2A P28223 2/20 0.42
P2RX7 Q99572 3/20 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
Hydrochloric Acid SCHEMBL28152000 0.99 GID4 (0.53) GID4HTR2CHTR2BSCN4AKDM4E
SCHEMBL1931841 0.86 PRCP (0.53) GID4HTR2CHTR2BSCN4AKDM4E
SCHEMBL6404152 0.86 PRCP (0.53) GID4HTR2CHTR2BSCN4AKDM4E
SCHEMBL6405760 0.86 PRCP (0.53) GID4HTR2CHTR2BSCN4AKDM4E
Hydrochloric Acid SCHEMBL6432085 0.84 PRCP (0.51) GID4HTR2CHTR2BSCN4AKDM4E
SCHEMBL7996653 0.81 GID4 (0.72) GID4HTR2CHTR2BSCN4AKDM4E
SCHEMBL7996650 0.81 GID4 (0.72) GID4HTR2CHTR2BSCN4AKDM4E
SCHEMBL22221105 0.80 HTR2C (0.68) GID4HTR2CHTR2BKDM4EHTR2A
SCHEMBL9469302 0.79 HTR2C (0.71) GID4HTR2CHTR2BKDM4E
SCHEMBL3261012 0.79 EPHX1 (0.51) GID4SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504004-A1 PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC APPLICATIONS OF A HYDROCORTISONE DERIVATIVE DESIGNATED AS DEINA Barco, Giovanni (IT) 2012-10-03 EP disclosed
WO-2006012700-A1 METHOD OF TREATMENT TEAM HEALTH PTY LTD (AU) 2006-02-09 WO disclosed
EP-1539181-A4 METHOD OF TREATING LOWER URINARY TRACT DISORDERS DYNOGEN PHARMACEUTICALS INC (US) 2005-12-28 EP disclosed
WO-2005117872-A2 DUAL ACTING SNRI-NMDA ANTAGONISTS FOR THE TREATMENT OF GENITOURINARY DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2005-12-15 WO disclosed
EP-1596844-A2 USE OF SODIUM CHANNEL MODULATORS FOR TREATING GASTROINTESTINAL TRACT DISORDERS Dynogen Pharmaceuticals Inc. (US) 2005-11-23 EP disclosed
EP-1589959-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS Dynogen Pharmaceuticals Inc. (US) 2005-11-02 EP disclosed
EP-1539181-A2 METHOD OF TREATING LOWER URINARY TRACT DISORDERS Dynogen Pharmaceuticals Inc. (US) 2005-06-15 EP disclosed
WO-2004089288-A2 METHOD OF TREATING LOWER URINARY TRACT DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-10-21 WO disclosed
WO-2004066990-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed
WO-2004066987-A2 USE OF SODIUM CHANNEL MODULATORS FOR TREATING GASTROINTESTINAL TRACT DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed
EP-1158978-A4 MEDICAMENT AGAINST DYSMENORRHOEA AND PREMENSTRUAL SYNDROME EDELSTAM INC (US) 2004-03-17 EP disclosed
EP-1158978-A1 MEDICAMENT AGAINST DYSMENORRHOEA AND PREMENSTRUAL SYNDROME Edelstam Inc. (US) 2001-12-05 EP disclosed
WO-2000053183-A1 MEDICAMENT AGAINST DYSMENORRHOEA AND PREMENSTRUAL SYNDROME EDELSTAM INC. (US) 2000-09-14 WO disclosed