SCHEMBL24936277

SCHEMBL24936277

CC(C)CN1CCNC(F)(F)C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.32
CYP2D6 P10635 8/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 7/20 0.31
USP2 O75604 5/20 0.31
TSHR P16473 3/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 4/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24936343 0.81
SCHEMBL27881682 0.78 PIK3CD (0.33) PIK3CDCYP2D6SMN1; SMN2
SCHEMBL19362279 0.78 TSHR (0.39) TSHR
SCHEMBL19362281 0.74 DRD2 (0.32)
SCHEMBL19362294 0.73
SCHEMBL22430411 0.73
SCHEMBL3422602 0.73 PIK3CD (0.33) PIK3CDCYP2D6
SCHEMBL2608963 0.71 CYP2D6 (0.43) PIK3CDCYP2D6SMN1; SMN2CYP3A4USP2
SCHEMBL22430337 0.70 SIGMAR1 (0.35)
SCHEMBL11998897 0.69 PIK3CD (0.38) PIK3CDCYP2D6SMN1; SMN2USP2TSHR

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
EP-3430017-B1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES UNIV CALIFORNIA (US) 2023-01-25 EP disclosed