SCHEMBL15533404

SCHEMBL15533404

O=C1CCc2cc(OC3CCN(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
PKLR P30613 1/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH1 P35367 8/20 0.45
CCR3 P51677 8/20 0.45
KCNH2 Q12809 4/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
CCR2 P41597 1/20 0.44
PAK1 Q13153 1/20 0.43

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
SCHEMBL15586373 0.91 PKM (0.50) PKMPKLRLMNAGAASMN1; SMN2
SCHEMBL12600344 0.81 PKM (0.48) PKMPKLRLMNAGAASMN1; SMN2
SCHEMBL15532807 0.80 CRBN (0.47) TP53
SCHEMBL15586421 0.77 CYP3A4 (0.49) LMNACYP3A4CYP2D6CYP2C19MEN1
SCHEMBL15586408 0.77 CYP3A4 (0.56) LMNASMN1; SMN2CYP3A4CYP2D6CYP2C19
SCHEMBL1991670 0.77 ALOX5 (0.51) PKMLMNAGAASMN1; SMN2CYP3A4
SCHEMBL4579159 0.76 GRIN2D (0.47) PKMLMNASMN1; SMN2KCNH2
SCHEMBL15586418 0.76 KCNH2 (0.47) LMNASMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL429773 0.75 HRH3 (0.55) MAPT
SCHEMBL15746493 0.74 SMN1; SMN2 (0.48) PKMLMNAGAASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013170072-A2 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NEUROP, INC. (US) 2013-11-14 WO disclosed
WO-2013170072-A2 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NEUROP, INC. (US) 2013-11-14 WO disclosed