SCHEMBL27543784

SCHEMBL27543784

CC1CCN(c2nc(C(C)C)nc(Cl)c2-c2c(F)cccc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.39
TSHR P16473 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14086462 0.74 TRPV1 (0.38) TRPV1TSHRKMT2AMEN1PKM
SCHEMBL3281623 0.74 KMT2A (0.39) TRPV1TSHRKMT2AMEN1PKM
SCHEMBL13385466 0.72 SMO (0.42) TRPV1TSHRKMT2AMEN1PKM
SCHEMBL5250958 0.72 TRPV1 (0.35) TRPV1TSHRLMNAMAPTHSD11B1
SCHEMBL14500980 0.72 CDK2 (0.35) TRPV1TSHRLMNAMAPTALDH1A1
SCHEMBL4814547 0.72 TRPV1 (0.35) TRPV1TSHRKMT2AMEN1PKM
SCHEMBL344327 0.72 TSHR (0.46) TSHRKMT2AMEN1LMNAMAPT
SCHEMBL13385445 0.72 TRPV1 (0.37) TRPV1TSHRKMT2AMEN1PKM
SCHEMBL3852701 0.71 KMT2A (0.37) TRPV1TSHRKMT2AMEN1PKM
SCHEMBL3280452 0.71 HTT (0.38) TRPV1TSHRKMT2AMEN1MAPT

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
CN-1312134-C 5-phenylpyrimidine compounds, compositions comprising them, processes for their preparation and their use BASF AG (DE) 2007-04-25 CN claimed