SCHEMBL8919957

SCHEMBL8919957

[CH2]C(c1ccccc1OC)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TACR1 P25103 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MC4R P32245 1/20 0.40
P4HB P07237 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8672898 0.81 OPRM1 (0.54) KMT2AMEN1ALDH1A1NPSR1OPRM1
SCHEMBL13653654 0.81 MAPT (0.51) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL13553399 0.81 KDM4E (0.51) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL13653662 0.79 KDM4E (0.49) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL11886645 0.79 KDM4E (0.49) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL11885437 0.78 MAPT (0.49) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL11885445 0.76 KDM4E (0.47) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL20690487 0.76 TACR1 (0.51) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL4590358 0.76 MAPT (0.50) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL29700504 0.76 TACR1 (0.51) MAPTKDM4EHPGDALOX15SMN1; 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-5696123-A ALPHA-PIPERAZINYL BENZYL COMPOUND AS TACHYKININ ANTAGONIST TREATING ASTHMA, BRONCHITIS, SKIN DISORDER, EYE DISEASE, HEADACHE, GASTROINTESTINAL DISORDER BOEHRINGER INGELHEIM KG (DE) 1997-12-09 US disclosed