SCHEMBL29957529

SCHEMBL29957529

OB(O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
TRPV6 Q9H1D0 2/20 0.44
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
ORAI3 Q9BRQ5 1/20 0.44
MGLL Q99685 1/20 0.44
KDM1A O60341 5/20 0.42
MAOB P27338 4/20 0.42
MAOA P21397 3/20 0.39
RCOR1 Q9UKL0 1/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 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
SCHEMBL29953893 0.79 KDM1A (0.52) HTR2CTRPV6ORAI1ORAI2ORAI3
SCHEMBL15329847 0.79 KDM1A (0.52) HTR2CTRPV6ORAI1ORAI2ORAI3
SCHEMBL29952551 0.75 HRH3 (0.45) KDM1AMAOBMAOA
SCHEMBL29954843 0.75 HTR2A (0.44) HTR2CTRPV6ORAI1ORAI2ORAI3
SCHEMBL29954166 0.74 MAOB (0.48) HTR2CKDM1AMAOBMAOARCOR1
SCHEMBL1722128 0.74 MAOB (0.48) HTR2CKDM1AMAOBMAOARCOR1
SCHEMBL1781688 0.74 MAOB (0.48) HTR2CKDM1AMAOBMAOARCOR1
SCHEMBL12813765 0.72 KDM1A (0.63) HTR2CKDM1AMAOBMAOARCOR1
SCHEMBL21153832 0.72 HTR2C (0.55) HTR2CKDM1AMAOBMAOARCOR1
SCHEMBL12813766 0.72 KDM1A (0.63) HTR2CKDM1AMAOBMAOARCOR1

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