SCHEMBL8557281

SCHEMBL8557281

Ic1ccccc1NCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
TAAR1 Q96RJ0 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.47
ATM Q13315 1/20 0.47
KDM1A O60341 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2C8 P10632 1/20 0.47

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
SCHEMBL2334843 0.85 GAA (0.45) L3MBTL1TAAR1MAPTMEN1KMT2A
SCHEMBL10714321 0.81 MAPT (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7333052 0.80 TAAR1 (0.50) L3MBTL1TAAR1MAPTMEN1KMT2A
SCHEMBL2320795 0.79 HSD17B10 (0.59) L3MBTL1MAPTMEN1KMT2AKDM4E
SCHEMBL897466 0.76 L3MBTL1 (0.53) L3MBTL1TAAR1MAPTMEN1KMT2A
SCHEMBL6542650 0.76 MAPT (0.69) L3MBTL1TAAR1MAPTMEN1KMT2A
SCHEMBL3907119 0.76 L3MBTL1 (0.53) L3MBTL1TAAR1MAPTMEN1KMT2A
SCHEMBL3910980 0.76 L3MBTL1 (0.59) L3MBTL1TAAR1MAPTMEN1KMT2A
SCHEMBL6032214 0.76 L3MBTL1 (0.53) L3MBTL1TAAR1MAPTMEN1KMT2A
SCHEMBL3047149 0.76 L3MBTL1 (0.53) L3MBTL1TAAR1MAPTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed
US-4360511-A Amines useful as brain imaging agents MEDI-PHYSICS, INC. (US) 1982-11-23 US disclosed
EP-0011858-A1 Radioiodine containing amines, their preparation and their use as brain imaging agents F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-06-11 EP disclosed