SCHEMBL7647401

SCHEMBL7647401

[CH2]CCCc1cc(-c2ccccc2)cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MPI P34949 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
TACR3 P29371 1/20 0.34
PTGES O14684 1/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA10 Q9GZZ6 2/20 0.33
CHRNA9 Q9UGM1 2/20 0.33
ADORA3 P0DMS8 1/20 0.32
PTGER4 P35408 1/20 0.32
PTPN2 P17706 1/20 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
SCHEMBL7655581 0.95 HTR6 (0.37) HTR6MTNR1AMTNR1BKDM4EMEN1
SCHEMBL7649355 0.94 CHRNA7 (0.37) HTR6MTNR1AMTNR1BKDM4EMEN1
SCHEMBL7649102 0.90 HTR6 (0.40) HTR6MTNR1AMTNR1BKDM4EMEN1
SCHEMBL7650707 0.82 HTR6 (0.41) HTR6MTNR1AMTNR1BKDM4EMEN1
SCHEMBL27550729 0.82 MAPT (0.46) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL8054347 0.79 PRKCZ (0.41) HTR6MTNR1AMTNR1BHTR2A
SCHEMBL7654443 0.78 CYP1A2 (0.48) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL7654463 0.78 MTNR1A (0.37) MTNR1AKDM4EMEN1ALDH1A1MAPT
SCHEMBL10676621 0.77 MEN1 (0.48) HTR6MTNR1AMTNR1BKDM4EMEN1
SCHEMBL7648253 0.76 LTA4H (0.36) KDM4EMEN1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed