SCHEMBL7805600

SCHEMBL7805600

CN(C)CC(Oc1ccccc1-c1ncn(-c2ccccc2)n1)N(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.34
ADRA2B P18089 6/20 0.34
ADRA2C P18825 6/20 0.34
MAPT P10636 5/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
ALOX15B O15296 1/20 0.32
KMT2A Q03164 1/20 0.32
AGER Q15109 2/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL6563153 0.78 HTR7 (0.56) SMN1; SMN2ALDH1A1HPGDTSHRNPC1
SCHEMBL7755736 0.71 ADRA2A (0.40) ADRA2AADRA2BADRA2CMAPTMAOA
SCHEMBL7756348 0.67 ADRA2A (0.39) ADRA2AADRA2BADRA2CMAPTMAOA
SCHEMBL6560509 0.65 KDM4A (0.51) MAPTSMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL7807464 0.65 ENPP1 (0.44) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL10691844 0.64 SMN1; SMN2 (0.45) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL458419 0.62 NPC1 (0.46) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL7807451 0.62 ADRA2A (0.53) ADRA2AADRA2BADRA2CSMN1; SMN2ALDH1A1
SCHEMBL17279827 0.59 GRM5 (0.48) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL6561335 0.59 HTR7 (0.52) MAPTSMN1; SMN2ALDH1A1TSHRKMT2A

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
EP-1071670-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-31 EP disclosed
WO-1999054314-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed