SCHEMBL7947414

SCHEMBL7947414

CN(C)CCOc1ccccc1-c1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.62
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADORA3 P0DMS8 2/20 0.50
ALOX15 P16050 2/20 0.50
PTPN1 P18031 2/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.43
ALOX12 P18054 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
SCHEMBL1528661 0.89 SMN1; SMN2 (0.56) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL7944215 0.80 HTR7 (0.70) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL1249856 0.79 MEN1 (0.45) KDM4ESMN1; SMN2ADORA3ALOX15RAB9A
SCHEMBL1528432 0.78 HSD17B10 (0.63) KDM4EALDH1A1SMN1; SMN2ADORA3ALOX15
SCHEMBL6670234 0.78 HTR7 (0.67) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL29904797 0.78 HTR7 (1.00) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL7937912 0.78 PTPN1 (0.76) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL7949356 0.77 HTR7 (0.65) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL17279908 0.76 NPC1 (0.48) KDM4EALDH1A1SMN1; SMN2ADORA3ALOX15
SCHEMBL1528540 0.76 HTR7 (0.59) HTR7KDM4EALDH1A1SMN1; SMN2PTPN1

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-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed