SCHEMBL7278993

SCHEMBL7278993

COc1ccc(OCC(O)CN2CCN(C(C(N)=O)c3c(C)cc(C)cc3C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
CYP2D6 P10635 6/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 5/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ABCB1 P08183 1/20 0.49

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
SCHEMBL7281734 0.91 CYP2D6 (0.58) USP2TSHRKDM4EPOLBCYP2D6
SCHEMBL7281889 0.87 CYP3A4 (0.57) TSHRPOLBCYP2D6MEN1KMT2A
SCHEMBL10835718 0.85 USP2 (0.64) USP2TSHRKDM4ECYP2D6MEN1
SCHEMBL7288820 0.85 CYP2D6 (0.64) USP2TSHRKDM4EPOLBCYP2D6
SCHEMBL7282440 0.85 TP53 (0.62) KDM4EPOLBCYP2D6MEN1KMT2A
SCHEMBL7293290 0.84 MAPT (0.55) KDM4EPOLBCYP2D6MEN1KMT2A
SCHEMBL7283526 0.82 L3MBTL1 (0.60) USP2TSHRKDM4ECYP2D6MEN1
SCHEMBL7288797 0.82 CYP2D6 (0.65) KDM4EPOLBCYP2D6MEN1KMT2A
SCHEMBL7282666 0.82 RECQL (0.57) USP2TSHRKMT2AMAPTTP53
SCHEMBL7281277 0.82 KMT2A (0.60) TSHRMEN1KMT2AMAPTSMN1; SMN2

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
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed