SCHEMBL8385402

SCHEMBL8385402

O=C(Nc1ccc(Br)c(Cl)c1)Nc1ccc2[nH]cc(C3=CCN4CCCCC4C3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
STING1 Q86WV6 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL8386633 0.92 NOS3 (0.41) MAPTLMNAPOLBKMT2AMEN1
SCHEMBL8385333 0.87 HTR1F (0.40) MAPTLMNAPOLBKMT2AMEN1
SCHEMBL8382523 0.85 MAPT (0.38) MAPTLMNAPOLBKMT2AMEN1
SCHEMBL8383659 0.83 MAPT (0.43) MAPTLMNASMN1; SMN2NPC1NOS3
SCHEMBL8383479 0.83 MAPT (0.42) MAPTLMNANOS3NOS1HTR1D
SCHEMBL30909034 0.81 MAPT (0.41) MAPTLMNAPOLBHTTNOS3
SCHEMBL30909253 0.81 MAPT (0.41) MAPTLMNAPOLBHTTNOS3
SCHEMBL8382132 0.81 HTR1D (0.40) MAPTPOLBKMT2ANOS3NOS1
SCHEMBL8382137 0.81 MAPT (0.41) MAPTLMNAPOLBHTTNOS3
SCHEMBL8381665 0.81 MAPT (0.41) MAPTLMNAPOLBHTTNOS3

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
US-5874427-A MIGRAINE ELI LILLY AND COMPANY (US) 1999-02-23 US disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
WO-1998046570-A1 SUBSTITUTED HETEROAROMATIC 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed