SCHEMBL29956515

SCHEMBL29956515

OB(O)c1cccc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.43
KIF11 P52732 1/20 0.39
GRM4 Q14833 1/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
GPR3 P46089 2/20 0.37
ACP1 P24666 1/20 0.36
F10 P00742 1/20 0.36
KAT6A Q92794 1/20 0.36
PPM1A P35813 1/20 0.36
CASR P41180 1/20 0.35

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
SCHEMBL29952201 0.88 KIF11 (0.42) TRPV1KIF11MTNR1AMTNR1BGPR3
SCHEMBL29954014 0.81 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL29951536 0.80 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL31247999 0.80 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL5826096 0.76 MTNR1A (0.49) TRPV1MTNR1AMTNR1BKAT6A
SCHEMBL29952666 0.76 MGLL (0.49) TRPV1KIF11
SCHEMBL4079334 0.76 F2 (0.45) TRPV1KIF11GPR3
SCHEMBL29951136 0.74 ACP1 (0.41) TRPV1KIF11GPR3ACP1CASR
SCHEMBL28961819 0.73 GPR3 (0.43) KIF11GPR3
SCHEMBL16061157 0.73 CYP1A2 (0.43) TRPV1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed