SCHEMBL21706780

SCHEMBL21706780

CC[C@@H]1CCc2cc(C(F)(F)F)ccc2N1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.45
NOTUM Q6P988 1/20 0.45
MTNR1A P48039 3/20 0.38
SCN9A Q15858 1/20 0.38
AADAT Q8N5Z0 1/20 0.37
RORC P51449 5/20 0.37
DRD2 P14416 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CETP P11597 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
SCHEMBL29278844 0.80 NOTUM (0.49) SRD5A1NOTUMAADATRORCHTT
SCHEMBL22298023 0.78 SRD5A1 (0.42) SRD5A1MTNR1APOLBTSHR
SCHEMBL22298020 0.78 MTNR1A (0.43) SRD5A1MTNR1ADRD2LMNATSHR
SCHEMBL2708840 0.77 CETP (0.54) NOTUMRORCCETP
SCHEMBL30716840 0.77 CETP (0.54) NOTUMRORCCETP
SCHEMBL431259 0.76 SRD5A1 (0.41) SRD5A1NOTUMRORCTRPV1
SCHEMBL20870358 0.74 SRD5A1 (0.40) SRD5A1MTNR1APOLB
SCHEMBL6274932 0.74 CETP (0.46) NOTUMRORCCETP
SCHEMBL6274933 0.74 CETP (0.46) NOTUMRORCCETP
SCHEMBL22364516 0.73 MTNR1A (0.61) MTNR1APOLB

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-2020030814-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2020-02-13 WO disclosed