SCHEMBL5192841

SCHEMBL5192841

O=C(CC1CCCCN1)NCc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 1/20 0.65
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.48
NPC1 O15118 2/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.46

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
SCHEMBL5191103 0.87 RAB9A (0.51) RAB9ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL5195550 0.86 RAB9A (0.51) RAB9ASMN1; SMN2POLBNPC1
SCHEMBL5779414 0.85 SRC (0.50) RAB9ASMN1; SMN2POLBKDM4ENPC1
SCHEMBL5195710 0.84 ALDH1A1 (0.58) RAB9ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL5193944 0.80 LMNA (0.48) RAB9ASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL5191447 0.78 HPGD (0.57) RAB9ASMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL5190932 0.78 EPHX2 (0.52) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL5193954 0.75 EPHX2 (0.50) RAB9APOLBLMNANPC1KMT2A
SCHEMBL22738143 0.74 KDM4E (0.64) SMN1; SMN2POLBALDH1A1KDM4ELMNA
SCHEMBL21206860 0.74 HTR2C (0.70) RAB9ASMN1; SMN2POLBALDH1A1KDM4E

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
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed