SCHEMBL17226375

SCHEMBL17226375

N=CCC(=O)NC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ EPHX1 P07099 6/20 0.52
▸ HPGD P15428 3/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HDAC3 O15379 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ EPHX2 P34913 2/20 0.46
▸ MAPT P10636 1/20 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
SCHEMBL20382797 0.98 EPHX1 (0.55) SMN1; SMN2EPHX1HPGDKMT2ALMNA
SCHEMBL28664096 0.81 EPHX1 (0.59) SMN1; SMN2EPHX1HPGDKMT2ALMNA
SCHEMBL12457773 0.81 EPHX1 (0.53) SMN1; SMN2EPHX1HPGDKMT2ALMNA
SCHEMBL15055532 0.76 — —
SCHEMBL8397071 0.76 SMN1; SMN2 (0.61) SMN1; SMN2EPHX1HPGDKMT2ALMNA
SCHEMBL3075216 0.75 EPHX1 (0.68) SMN1; SMN2EPHX1HPGDKMT2ALMNA
SCHEMBL7302572 0.74 EPHX1 (0.61) SMN1; SMN2EPHX1HPGDKMT2ALMNA
SCHEMBL8394299 0.74 EPHX1 (0.61) SMN1; SMN2EPHX1HPGDKMT2ALMNA
SCHEMBL2090467 0.73 SMN1; SMN2 (0.64) SMN1; SMN2EPHX1HPGDKMT2ALMNA
SCHEMBL10587847 0.73 ALDH1A1 (0.83) SMN1; SMN2EPHX1HPGDKMT2ALMNA

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
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 — — EP disclosed
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