SCHEMBL7652962

SCHEMBL7652962

[CH2]CCCCCc1cc(C)cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2A6 P11509 2/20 0.46
MAPT P10636 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
IDH1 O75874 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TACR1 P25103 1/20 0.32
TLR8 Q9NR97 1/20 0.32
CYP2D6 P10635 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
SCHEMBL7655964 0.98 CYP1A2 (0.47) CYP1A2CYP2A6MAPTCYP2C19CYP3A4
SCHEMBL7654443 0.93 CYP1A2 (0.48) CYP1A2CYP2A6CYP2C19CYP3A4CYP2C9
SCHEMBL1706604 0.86 CYP1A2 (0.52) CYP1A2CYP2A6CYP2C19CYP3A4CYP2C9
Ammonia Solution, Strong SCHEMBL27919149 0.84 MAPT (0.49) CYP1A2CYP2A6MAPTCYP3A4TDP1
Ammonia Solution, Strong SCHEMBL27919173 0.84 MAPT (0.49) CYP1A2CYP2A6MAPTCYP3A4TDP1
SCHEMBL27471657 0.83 CYP1A2 (0.48) CYP1A2CYP2A6MAPTCYP3A4TDP1
SCHEMBL27477260 0.82 CYP1A2 (0.59) CYP1A2CYP2A6CYP2C19CYP3A4CYP2C9
SCHEMBL7654083 0.80 MAPT (0.40) MAPTCYP3A4TLR8
Ammonia Solution, Strong SCHEMBL27938005 0.80 CYP1A2 (0.48) CYP1A2CYP2A6MAPTTDP1TLR8
SCHEMBL7649355 0.79 CHRNA7 (0.37) MAPTTDP1

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
CN-1149214-C Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient ������������ʽ���� 2004-05-12 CN disclosed
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