SCHEMBL8722696

SCHEMBL8722696

O=C(NC1CC2CCC(C1)N2CC1CCCCC1)c1c[nH]c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
CNR2 P34972 1/20 0.47
HTR4 Q13639 1/20 0.46
HTR3A P46098 3/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
RAB9A P51151 1/20 0.42
MAP2K1 Q02750 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL8722697 1.00 OPRL1 (0.48) OPRL1OPRM1OPRK1CNR2HTR4
SCHEMBL8717830 0.99 CNR2 (0.47) OPRL1OPRM1OPRK1CNR2HTR4
SCHEMBL8717827 0.99 CNR2 (0.47) OPRL1OPRM1OPRK1CNR2HTR4
SCHEMBL8718167 0.95 HTR4 (0.51) OPRL1OPRM1OPRK1CNR2HTR4
SCHEMBL8718168 0.95 HTR4 (0.51) OPRL1OPRM1OPRK1CNR2HTR4
SCHEMBL8720700 0.86 CNR2 (0.50) CNR2HTR4HTR3AHTR3EHTR3B
SCHEMBL8720701 0.86 CNR2 (0.50) CNR2HTR4HTR3AHTR3EHTR3B
SCHEMBL8718160 0.83 L3MBTL1 (0.60) OPRK1HTR3AMEN1KMT2AADORA2A
SCHEMBL8718161 0.83 L3MBTL1 (0.60) OPRK1HTR3AMEN1KMT2AADORA2A
SCHEMBL29406314 0.82 HTR3A (0.63) CNR2HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712408-B1 TROPYL 7-AZAINDOL-3-YLCARBOXYAMIDES AS ANTITUSSIVE AGENT DOMPE SPA (IT) 1998-10-28 EP disclosed