SCHEMBL7650177

SCHEMBL7650177

[CH2]CCCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.45
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
SPHK2 Q9NRA0 7/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 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
SCHEMBL7652663 0.98 SPHK1 (0.46) SPHK1FFAR4SPHK2SIGMAR1
SCHEMBL7651816 0.95 SPHK1 (0.47) SPHK1FFAR4SPHK2SIGMAR1
SCHEMBL7647363 0.93 SPHK1 (0.50) SPHK1FFAR4SPHK2SIGMAR1
SCHEMBL7654715 0.93 SPHK1 (0.49) SPHK1FFAR4SPHK2SIGMAR1
SCHEMBL7650285 0.91 SPHK1 (0.51) SPHK1FFAR4SPHK2SIGMAR1
SCHEMBL5544467 0.89 SPHK1 (0.40) SPHK1KCNH2HRH3HTR2CHTR2B
SCHEMBL3146239 0.86 SPHK1 (0.41) SPHK1FFAR4HTR2CHTR2B
SCHEMBL20793673 0.81 SPHK1 (0.45) SPHK1KCNH2HRH3FFAR4SPHK2
SCHEMBL21152607 0.81 SPHK1 (0.45) SPHK1KCNH2HRH3FFAR4SPHK2
SCHEMBL11282060 0.81 SPHK1 (0.45) SPHK1KCNH2HRH3FFAR4SPHK2

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