SCHEMBL6670168

SCHEMBL6670168

CCn1c(=O)n(CCC[C@@H]2Cc3ccccc3C23CCNCC3)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.38
DRD3 P35462 9/20 0.38
MCHR2 Q969V1 2/20 0.36
CALCRL Q16602 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL6669198 0.73 SIGMAR1 (0.38) DRD2SIGMAR1
SCHEMBL6670052 0.70 SIGMAR1 (0.38) DRD2SIGMAR1
SCHEMBL6672827 0.68 OPRM1 (0.43) OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL6669828 0.68 HTR2A (0.36) DRD2OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL6668923 0.67 HTR2A (0.35) DRD2SIGMAR1
SCHEMBL6396618 0.67 SIGMAR1 (0.65) OPRM1OPRL1SIGMAR1
SCHEMBL6910089 0.67 PGR (0.56)
SCHEMBL4621924 0.65 ALDH1A1 (0.59)
SCHEMBL6909959 0.64 PGR (0.53)
SCHEMBL7291994 0.63 TSHR (0.47)

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-1399432-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-03-24 EP claimed
WO-2003000677-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER PHARMACEUTICALS INC. (JP) 2003-01-03 WO claimed