SCHEMBL28212499

SCHEMBL28212499

O=C(CC1CC1)NC1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.60
KMT2A Q03164 2/20 0.60
HPGD P15428 2/20 0.60
POLB P06746 1/20 0.52
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
CHRM3 P20309 2/20 0.45
CHRM5 P08912 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A1 P30531 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRB2 P47870 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
GABRA1 P14867 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
SCHEMBL15202847 0.92 EPHX1 (0.72) EPHX1KMT2AHPGDPOLBGNAI3
SCHEMBL13484250 0.92 EPHX1 (0.60) EPHX1KMT2AHPGDPOLBGNAI3
SCHEMBL6473627 0.91 EPHX1 (0.76) EPHX1KMT2AHPGDPOLBGNAI3
SCHEMBL4098357 0.85 KMT2A (0.72) EPHX1KMT2AHPGDEPHX2SMN1; SMN2
SCHEMBL3231741 0.84 EPHX1 (0.51) EPHX1KMT2AHPGDPOLBGNAI3
SCHEMBL9344976 0.82 EPHX1 (0.43) EPHX1KMT2AHPGDPOLBGNAI3
SCHEMBL24342375 0.82 KMT2A (0.57) EPHX1KMT2AHPGDGNAI3GNAO1
SCHEMBL22813414 0.81 EPHX1 (0.80) EPHX1KMT2AHPGDEPHX2SMN1; SMN2
SCHEMBL12636381 0.81 SLC6A1 (0.58) EPHX1KMT2AHPGDPOLBGNAI3
SCHEMBL34468320 0.80 EPHX1 (0.66) EPHX1KMT2AHPGDPOLBGNAI3

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
CN-107949558-B Muscarinic agonists 赫普泰雅治疗有限公司 2022-03-15 CN disclosed
CN-107949558-A Muscarinic agonists 赫普泰雅治疗有限公司 2018-04-20 CN disclosed