SCHEMBL29957178

SCHEMBL29957178

OB(O)[C@@H]1C[C@H]1c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
HTR2A P28223 3/20 0.50
HTR2B P41595 3/20 0.50
GRIA4 P48058 1/20 0.40
KDM1A O60341 3/20 0.40
RCOR1 Q9UKL0 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
GRM5 P41594 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
RIPK1 Q13546 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
SCHEMBL149599 0.79 KDM1A (0.58) HTR2CHTR2AHTR2BKDM1ARCOR1
SCHEMBL29954593 0.79 HTR2A (0.51) HTR2CHTR2AHTR2BKDM1ARCOR1
SCHEMBL29953893 0.77 KDM1A (0.52) HTR2CHTR2AHTR2BKDM1A
SCHEMBL15329847 0.77 KDM1A (0.52) HTR2CHTR2AHTR2BKDM1A
SCHEMBL1722128 0.77 MAOB (0.48) HTR2CHTR2AHTR2BKDM1ARCOR1
SCHEMBL1781688 0.77 MAOB (0.48) HTR2CHTR2AHTR2BKDM1ARCOR1
SCHEMBL29954166 0.77 MAOB (0.48) HTR2CHTR2AHTR2BKDM1ARCOR1
SCHEMBL29955006 0.75 HTR2C (0.55) HTR2CHTR2AHTR2BKDM1ARCOR1
SCHEMBL19444237 0.73 HTR2A (0.56) HTR2CHTR2AHTR2BGRIA4KDM1A
SCHEMBL13272292 0.73 HTR2A (0.56) HTR2CHTR2AHTR2BGRIA4KDM1A

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