SCHEMBL3692014

SCHEMBL3692014

N=C1C(c2ccccc2C(F)(F)F)CCCN1N

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RBP4 P02753 5/20 0.44
HTR2C P28335 3/20 0.41
HTR2B P41595 1/20 0.38
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
PNMT P11086 1/20 0.36

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
SCHEMBL7900103 1.00 GAA (0.44) GAATDP1RBP4HTR2CHTR2B
SCHEMBL12462449 0.83 RBP4 (0.47) GAATDP1RBP4HTR2CHTR2B
SCHEMBL187797 0.83 RBP4 (0.47) GAATDP1RBP4HTR2CHTR2B
SCHEMBL21451909 0.70 GAA (0.49) GAATDP1RBP4HTR2CHTR2B
SCHEMBL9282768 0.69 PSEN1 (0.54) GAATDP1RBP4HTR2CPSEN1
SCHEMBL908685 0.69 NTRK1 (0.42) RBP4
SCHEMBL909802 0.68 TP53 (0.41) GAATDP1RBP4HTR2CHTR2B
SCHEMBL25378056 0.67 HTR2C (0.49) GAATDP1RBP4HTR2CHTR2B
SCHEMBL16212148 0.67 HTR2C (0.49) GAATDP1RBP4HTR2CHTR2B
SCHEMBL31227327 0.67 HTR2C (0.49) GAATDP1RBP4HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010098496-A1 PROCESS FOR PRODUCING TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed