SCHEMBL11227701

SCHEMBL11227701

CCCC=C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
GRM5 P41594 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CYP2C19 P33261 1/20 0.51
HDAC2 Q92769 1/20 0.49
TMEM97 Q5BJF2 6/20 0.47
SIGMAR1 Q99720 6/20 0.47
GRIN2B Q13224 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44

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
SCHEMBL25547613 0.84 MEN1 (0.49) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL9218512 0.84 MEN1 (0.59) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL9572627 0.82 MEN1 (0.57) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL7311393 0.81 MEN1 (0.59) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL2797469 0.81 GRM5 (0.55) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL21551374 0.81 MEN1 (0.56) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL1813588 0.80 SMN1; SMN2 (0.55) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL2771533 0.79 MEN1 (0.51) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL4514146 0.79 TMEM97 (0.54) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL4514149 0.79 TMEM97 (0.54) MEN1KMT2ANPSR1CYP1A2CYP3A4

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-4353901-A HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIAMIGRAINE, VASOSPASTIC DISORDERS, ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed
US-4353900-A HYPOTENSIVE, ANTIARRHYTHMIA, CARDIOTONIC, VASODILATORS SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed