SCHEMBL8771537

SCHEMBL8771537

CCCc1ccccc1Cc1ccc(Cc2ccc(N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 4/20 0.45
MAOA P21397 2/20 0.45
HTR6 P50406 2/20 0.44
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LTA4H P09960 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL8771661 0.89 HTR2A (0.50) HTR2ACYP3A4ALDH1A1TSHRTDP1
SCHEMBL8086620 0.88 HTR2A (0.54) HTR2ATSHRLTA4HTAAR1SLC6A2
SCHEMBL8771701 0.88 HTR2A (0.49) HTR2ACYP3A4ALDH1A1TSHRTDP1
SCHEMBL8102347 0.86 HTR2A (0.59) HTR2ALTA4HTAAR1SLC6A2SLC6A4
SCHEMBL8771553 0.86 LIPG (0.47) HTR2ACYP3A4ALDH1A1TSHRTDP1
SCHEMBL486603 0.84 CYP3A4 (0.65) HTR2ACYP3A4ALDH1A1TSHRTDP1
SCHEMBL8095814 0.84 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRTDP1MAOB
SCHEMBL8094785 0.84 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRTDP1MAOB
SCHEMBL8102180 0.84 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRTDP1MAOB
SCHEMBL8094659 0.84 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRTDP1MAOB

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-0799270-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-10-08 EP disclosed
WO-1997014742-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-04-24 WO disclosed