SCHEMBL11633407

SCHEMBL11633407

CC(CC12CC3CC(CC(C3)C1)C2)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
EPHX2 P34913 2/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
P2RX7 Q99572 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
BPTF Q12830 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
SCHEMBL11633443 0.84 SMN1; SMN2 (0.45) ATMKMT2AMEN1GRIN2DGRIN3B
SCHEMBL11635348 0.82 SMN1; SMN2 (0.47) HSD11B1EPHX2ATMKMT2AMEN1
SCHEMBL11635875 0.79 KDM4E (0.50) EPHX2KMT2AMEN1KDM4EALDH1A1
SCHEMBL31288968 0.69 MEN1 (0.44) HSD11B1EPHX2ATMKMT2AMEN1
SCHEMBL6313788 0.68 KDM4E (0.58) HSD11B1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL5252707 0.68 GRIN2D (0.46) ATMKMT2AMEN1GRIN2DGRIN3B
SCHEMBL28350293 0.67 GRIN2D (0.41) EPHX2ATMKMT2AMEN1GRIN2D
SCHEMBL2551138 0.66 KDM4E (0.37) KMT2AMEN1SIGMAR1SMN1; SMN2KDM4E
SCHEMBL13419180 0.66 KDM4E (0.37) KMT2AMEN1SIGMAR1SMN1; SMN2KDM4E
SCHEMBL3534793 0.66 KDM4E (0.37) KMT2AMEN1SIGMAR1SMN1; SMN2KDM4E

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
US-4100170-A ANTIHYPERTENSIVE AGENTS, MONOAMINE OXIDASE INHIBITORS PENNWALT CORPORATION (US) 1978-07-11 US disclosed