SCHEMBL16795291

SCHEMBL16795291

CN1CCC(NCc2cc(O)cc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.47
PRMT6 Q96LA8 3/20 0.47
ACHE P22303 7/20 0.43
BACE1 P56817 7/20 0.43
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
POLB P06746 2/20 0.41
BCHE P06276 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MITF O75030 1/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
OPRL1 P41146 1/20 0.39
MAP4K4 O95819 1/20 0.38

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
SCHEMBL16795154 0.83 POLB (0.56) POLBMEN1KMT2AMITF
SCHEMBL16795306 0.82 CARM1 (0.47) CARM1PRMT6ACHEBACE1BCHE
SCHEMBL4220280 0.77 POLB (0.65) CARM1PRMT6ACHEBACE1POLB
SCHEMBL16795137 0.75 ACHE (0.34) CARM1PRMT6ACHEBACE1DRD2
SCHEMBL20766436 0.74 MAP4K4 (0.54) CARM1PRMT6ACHEBACE1BCHE
SCHEMBL3457833 0.74 MEN1 (0.59) CARM1PRMT6ACHEBACE1POLB
SCHEMBL16795184 0.73 BCHE (0.52) CARM1PRMT6ACHEBACE1POLB
SCHEMBL16795390 0.73 NOS2 (0.53) MAP4K4
SCHEMBL4983041 0.72 EPHX1 (0.52) POLBMEN1KMT2A
SCHEMBL20766403 0.72 ALDH1A1 (0.71) CARM1PRMT6ACHEBACE1POLB

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-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed