SCHEMBL20140940

SCHEMBL20140940

C[C@H]1CNCCN1c1ncccc1S(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.48
HTR2C P28335 4/20 0.48
HTR2B P41595 4/20 0.48
PRKD3 O94806 2/20 0.42
PRKCG P05129 2/20 0.42
PRKCB P05771 2/20 0.42
PRKCA P17252 2/20 0.42
PRKACA P17612 2/20 0.42
PRKACG P22612 2/20 0.42
PRKACB P22694 2/20 0.42
PRKCH P24723 2/20 0.42
PRKCI P41743 2/20 0.42
PRKCE Q02156 2/20 0.42
PRKCQ Q04759 2/20 0.42
PRKCZ Q05513 2/20 0.42
PRKCD Q05655 2/20 0.42
PRKD1 Q15139 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL20129660 1.00 HTR2A (0.48) HTR2AHTR2CHTR2BPRKD3PRKCG
SCHEMBL2419267 0.80 HTR2A (0.53) HTR2AHTR2CHTR2BGSK3B
SCHEMBL6219727 0.80 HTR2A (0.53) HTR2AHTR2CHTR2BGSK3B
SCHEMBL13931360 0.78 HTR2C (0.53) HTR2AHTR2CHTR2B
SCHEMBL20129651 0.77 EPHX2 (0.52) HTR2CCYP3A4TSHRNFKB1LMNA
SCHEMBL9206909 0.75 HTR2C (0.51) HTR2AHTR2CHTR2BCYP2C19
SCHEMBL20141349 0.75 SMO (0.45) SMN1; SMN2KMT2AMTORHTTLMNA
SCHEMBL3331400 0.74 HTR2C (0.50) HTR2AHTR2CHTR2BPRKCQALDH1A1
Ammonia Solution, Strong SCHEMBL27277144 0.74 CYP1A2 (0.51) HTR2AHTR2CHTR2BSMN1; SMN2MAPK1
SCHEMBL20129734 0.73 PRKCQ (0.45) PRKD3PRKCGPRKCBPRKCAPRKCH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed