SCHEMBL16200311

SCHEMBL16200311

COc1cc(C)c(CNC(C)C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
NPC1 O15118 1/20 0.37
CASR P41180 1/20 0.36

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
SCHEMBL13178795 0.83 P2RX3 (0.39) ALDH1A1GAALMNATAAR1NPC1
SCHEMBL13178806 0.81 SLC6A4 (0.48) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL16200298 0.79 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL14582024 0.77 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL14582026 0.77 TAAR1 (0.46) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL16200315 0.76 KMT2A (0.58) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL12467312 0.75 TAAR1 (0.46) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL16200300 0.75 MTNR1A (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL14582025 0.75 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL19195019 0.74 TAAR1 (0.44) MAPTSMN1; SMN2ALDH1A1GAAMEN1

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-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed