SCHEMBL11501775

SCHEMBL11501775

[CH2]C(C)CN1CCN(CC([CH2])C)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.39
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GFER P55789 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL28324473 0.89 GAA (0.41) PIK3CDALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL4967511 0.88
SCHEMBL1417304 0.86 MEN1 (0.50) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL9036302 0.82 GAA (0.39) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL6198611 0.82 SMN1; SMN2 (0.47) MEN1KMT2APOLB
SCHEMBL3059739 0.82 USP2 (0.54) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL24209746 0.73 PIK3CD (0.61) PIK3CDL3MBTL1MEN1KMT2A
SCHEMBL2001262 0.73
SCHEMBL20438377 0.73 PIK3CD (0.61) PIK3CDL3MBTL1MEN1KMT2A
SCHEMBL1621691 0.73 PIK3CD (0.61) PIK3CDL3MBTL1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4110328-A Bis-carbamylguanidinoazaalkane antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-08-29 US claimed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 US disclosed
US-4110328-A Bis-carbamylguanidinoazaalkane antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-08-29 US disclosed