SCHEMBL9150697

SCHEMBL9150697

COc1ccc2c(c1)NCC(CCO)O2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
HRH3 Q9Y5N1 2/20 0.39
HTR1A P08908 1/20 0.38
CDK1 P06493 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
HSD17B10 Q99714 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
FFAR1 O14842 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL19055422 0.79 HSD17B10 (0.38) HSD17B10NISCHKMT2A
SCHEMBL18209131 0.79 PNMT (0.40) HSD17B10KMT2A
SCHEMBL17055870 0.79 PNMT (0.40) HSD17B10KMT2A
SCHEMBL17055852 0.79 HSD17B10 (0.38) HSD17B10NISCHKMT2A
SCHEMBL6969139 0.78 HTR1A (0.48) MTNR1AHRH3HTR1ACDK1MAPKAPK2
SCHEMBL7476692 0.75 CASR (0.45) HTR1ANISCHGAA
SCHEMBL20687582 0.74 ALDH1A1 (0.40) MTNR1AHRH3HTR1AHSD17B10NISCH
SCHEMBL11545591 0.74 HPGD (0.48) HSD17B10MAPTMEN1KMT2A
SCHEMBL13757108 0.73 HSD17B10 (0.38) HTR1AHSD17B10GAAMAPTMEN1
SCHEMBL13757112 0.73 HSD17B10 (0.38) HTR1AHSD17B10GAAMAPTMEN1

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
US-5474988-A Analgesics, antiinflammatory agents KALI-CHEMIE PHARMA GMBH (DE) 1995-12-12 US disclosed
EP-0614899-A1 5-Phenyl-pyrrolo-1,4-benzoxazine and thiazine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1994-09-14 EP disclosed