SCHEMBL9818699

SCHEMBL9818699

CCCCOc1ccc(NC(=O)NCC2(c3ccccc3)CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
LMNA P02545 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CNR1 P21554 1/20 0.57
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FPR2 P25090 1/20 0.49
FAAH O00519 6/20 0.49

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
SCHEMBL9818716 0.91 NPC1 (0.59) LMNAMAPTRAB9ACNR1MEN1
SCHEMBL9818694 0.86 CNR1 (0.62) ALDH1A1MAPTRAB9ACNR1MEN1
SCHEMBL9818724 0.85 CNR1 (0.63) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL9818668 0.83 CNR1 (0.70) ALDH1A1LMNACYP3A4CYP2C19SMN1; SMN2
SCHEMBL9818721 0.82 CNR1 (0.63) ALDH1A1LMNACYP3A4MAPTCYP2C19
SCHEMBL9818621 0.82 CNR1 (0.66) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL300331 0.82 CNR1 (0.72) ALDH1A1LMNACYP3A4CYP2C19SMN1; SMN2
SCHEMBL9818592 0.80 CNR1 (0.63) ALDH1A1LMNAMAPTCYP2C9CYP2C19
SCHEMBL9818669 0.80 CNR1 (0.87) ALDH1A1LMNACYP2D6MAPTRAB9A
SCHEMBL9818576 0.80 LMNA (0.68) ALDH1A1LMNACYP3A4CYP2C19SMN1; SMN2

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
US-5015644-A Antihyperlipidemic and antiatherosclerotic urea and carbamate compounds WARNER-LAMBERT COMPANY (US) 1991-05-14 US disclosed