SCHEMBL8326976

SCHEMBL8326976

CN(C)C([CH]c1cccc(N)c1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
MAOA P21397 4/20 0.45
CYP19A1 P11511 2/20 0.45
SLC6A2 P23975 3/20 0.40
TAAR1 Q96RJ0 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
EPHX1 P07099 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL8324682 0.84 TP53 (0.40) MAOASLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL8327755 0.82 PNMT (0.41) MAOBTAAR1SIGMAR1NPC1
SCHEMBL8324481 0.82 NFE2L2 (0.45) MAOBMAOASLC6A2TAAR1SLC6A4
SCHEMBL8324959 0.81 SIGMAR1 (0.39) MAOASLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL8323856 0.80 MAOA (0.49) MAOBMAOACYP19A1SLC6A2TAAR1
SCHEMBL8322396 0.79 HTR2A (0.46) SLC6A4SIGMAR1ADRA2CHTR2AADRA1A
SCHEMBL8325015 0.77 MAOA (0.45) MAOBMAOACYP19A1SLC6A2TAAR1
SCHEMBL8325718 0.75 CYP2C19 (0.40) MAOBMAOASLC6A2TAAR1SLC6A4
SCHEMBL8323592 0.74 NOS3 (0.40) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8323270 0.73 KDM4E (0.36) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C

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-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP disclosed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed