SCHEMBL7058014

SCHEMBL7058014

Cc1cccc(C(C)C)c1N=C1C(=Nc2c(C)cccc2C(C)C)C2CCC1C2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
GABRB1 P18505 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
HTR2B P41595 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 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
SCHEMBL7058011 1.00 TSHR (0.32) TSHRGABRA1GABRG2GABRB3FAAH
SCHEMBL5587521 0.95 TSHR (0.32) TSHRGABRA1GABRG2GABRB3FAAH
SCHEMBL5588007 0.94 TSHR (0.31) TSHRGABRA1GABRG2GABRB3FAAH
SCHEMBL5591140 0.90 GABRA1 (0.36) TSHRGABRA1GABRG2GABRB3FAAH
SCHEMBL5588398 0.89 GABRA1 (0.35) TSHRGABRA1GABRG2GABRB3FAAH
SCHEMBL5586867 0.85 POLB (0.37) CA1CA2LMNACYP1A2HTR2C
SCHEMBL5587952 0.83 POLB (0.36) CYP1A2HTR2C
SCHEMBL5587815 0.73 TRPV1 (0.30) TRPV1
SCHEMBL5587131 0.73
SCHEMBL5590264 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670433-B2 Useful as molding resins E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-30 US disclosed
US-20030055186-A1 Polymers of substituted cyclopentenes MCLAIN STEPHAN J (US) 2003-03-20 US disclosed
US-6258908-B1 Polymers of substituted cyclopentenes E. I. DU PONT DE NEMOURS AND COMPANY 2001-07-10 US disclosed
EP-1068247-A2 POLYMERS OF SUBSTITUTED CYCLOPENTENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-01-17 EP disclosed
WO-1999050320-A2 POLYMERS OF SUBSTITUTED CYCLOPENTENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-07 WO disclosed