SCHEMBL943150

SCHEMBL943150

O=C(CCl)N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.58
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 2/20 0.39
EPHX1 P07099 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ATF4 P18848 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL943151 1.00 EPHX2 (0.58) EPHX2MTNR1AMTNR1BLMNASMN1; SMN2
SCHEMBL224441 0.91
SCHEMBL9795085 0.83 EPHX2 (0.54) EPHX2LMNASMN1; SMN2KMT2AHPGD
SCHEMBL9497817 0.83 EPHX2 (0.54) EPHX2LMNASMN1; SMN2KMT2AHPGD
SCHEMBL854701 0.83 MTNR1A (0.45) EPHX2MTNR1AMTNR1BLMNASMN1; SMN2
SCHEMBL854700 0.83 MTNR1A (0.45) EPHX2MTNR1AMTNR1BLMNASMN1; SMN2
SCHEMBL4303783 0.82
SCHEMBL3453982 0.82 SMN1; SMN2 (0.61) EPHX2LMNASMN1; SMN2KMT2AHPGD
SCHEMBL9797827 0.81 KMT2A (0.59) EPHX2MTNR1AMTNR1BLMNASMN1; SMN2
SCHEMBL19706964 0.81 SMYD3 (0.49) MTNR1AMTNR1BLMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO disclosed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO disclosed
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US disclosed
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed