SCHEMBL18683176

SCHEMBL18683176

COC(C)(C)CCNC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.47
GNAO1 P09471 2/20 0.47
GNAI1 P63096 2/20 0.47
SOS1 Q07889 1/20 0.42
KCNH2 Q12809 1/20 0.37
RAD52 P43351 1/20 0.35
DPP7 Q9UHL4 1/20 0.33
EP300 Q09472 1/20 0.32
EPHX1 P07099 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16371125 0.83 KDM4E (0.40) RAD52MEN1ALDH1A1GAAKMT2A
SCHEMBL2668601 0.81 ALDH1A1 (0.42) MEN1ALDH1A1LMNAGAAALOX12
SCHEMBL7893718 0.80 GNAI3 (0.53) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL18922344 0.76 GNAI3 (0.53) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL1956284 0.75 GNAI3 (0.52) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL18922338 0.74 GNAI3 (0.56) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL26748291 0.73 GNAI3 (0.59) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL3411146 0.72 GNAI3 (0.48) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL20626535 0.72 SOS1 (0.51) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL17102129 0.72 GNAI3 (0.58) GNAI3GNAO1GNAI1SOS1KCNH2

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-3147283-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR North China Pharmaceutical Company., Ltd. (CN) 2017-03-29 EP disclosed