SCHEMBL7700294

SCHEMBL7700294

CCNC1(c2cccs2)CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 1/20 0.45
PRCP P42785 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CTSD P07339 1/20 0.45
BACE1 P56817 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38

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
SCHEMBL24946122 0.81 SLC6A4 (0.57) LMNATSHRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6203736 0.79 SLC6A4 (0.55) LMNATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL21916840 0.78 SLC6A4 (0.58) LMNATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL29101204 0.75 OPRM1 (0.53) LMNATSHRSLC6A2SLC6A4SLC6A3
Tiletamine SCHEMBL115212 0.75 LMNA (1.00) LMNATSHRSLC6A2SLC6A4SLC6A3
Tiletamine SCHEMBL258460 0.74 LMNA (0.97) LMNATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL17835223 0.74 SLC6A2 (0.69) LMNATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL353542 0.73 HDAC3 (0.42) LMNATSHRSLC6A2SLC6A4SLC6A3
Eticyclidine SCHEMBL66697 0.72 GRIN2D (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL9640387 0.71 HDAC3 (0.51) LMNATSHRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986555-A1 NOVEL PHENCYCLIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-22 EP claimed
WO-1998055478-A1 NOVEL PHENCYCLIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-10 WO claimed
US-6342511-B1 RACEMIC, ENANTIOMORPHS AND DIASTERIOMORPHS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-29 US disclosed