SCHEMBL8575870

SCHEMBL8575870

N=C(N)N1CCC[C@@H](CO)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.47
CPN1 P15169 1/20 0.45
CPB2 Q96IY4 1/20 0.45
F2 P00734 1/20 0.45
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
EPHX2 P34913 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 2/20 0.38
LIPE Q05469 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
SCHEMBL8581022 1.00 EED (0.47) EEDCPN1CPB2F2RAB9A
SCHEMBL9060473 1.00 EED (0.47) EEDCPN1CPB2F2RAB9A
SCHEMBL8578826 1.00 EED (0.47) EEDCPN1CPB2F2RAB9A
SCHEMBL5968968 0.85 EED (0.47) EEDCPN1CPB2F2
SCHEMBL18265351 0.83 EED (0.49) EEDCPN1CPB2F2ALDH1A1
Hydrochloric Acid SCHEMBL7291174 0.83 EED (0.46) EEDCPN1CPB2F2
Hydrochloric Acid SCHEMBL8719632 0.83 EED (0.46) EEDCPN1CPB2F2
Hydrochloric Acid SCHEMBL7296863 0.83 EED (0.46) EEDCPN1CPB2F2
SCHEMBL24295482 0.81 EED (0.47) EEDCPN1CPB2F2
SCHEMBL13548205 0.81 EPHX2 (0.47) RAB9ANPC1SMN1; SMN2EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed