SCHEMBL7897265

SCHEMBL7897265

[O-][S+](NC1CCc2cc(Cc3cc(CO)cc(C(F)(F)F)c3)ccc21)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.36
CCR2 P41597 7/20 0.36
TRPV1 Q8NER1 4/20 0.34
ADRB2 P07550 1/20 0.33
TBXA2R P21731 1/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
BDKRB1 P46663 1/20 0.31

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
SCHEMBL15338340 0.80 CCR2 (0.40) GRIA2CCR2TRPV1RXRARXRB
SCHEMBL7899877 0.80 HTR1A (0.44) GRIA2CCR2TRPV1RXRARXRB
SCHEMBL7898940 0.78 GRIA2 (0.58) GRIA2CCR2TRPV1BDKRB1
SCHEMBL586548 0.77 RXRA (0.36) GRIA2CCR2ADRB2TBXA2RRXRA
SCHEMBL7898318 0.77 GRIA2 (0.47) GRIA2CCR2TRPV1BDKRB1
SCHEMBL15327849 0.74 TRPV1 (0.46) GRIA2CCR2TRPV1BDKRB1
SCHEMBL7901349 0.74 TACR1 (0.47) CCR2TRPV1
SCHEMBL7903113 0.73 GRIA2 (0.43) GRIA2CCR2TRPV1BDKRB1
SCHEMBL7897262 0.73 GRIA2 (0.43) GRIA2CCR2TRPV1TBXA2R
SCHEMBL588465 0.73 GRIA2 (0.35) GRIA2CCR2TRPV1

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
WO-2010115952-A1 INDANE DERIVATIVES N.V. ORGANON (NL) 2010-10-14 WO disclosed