SCHEMBL19200515

SCHEMBL19200515

COC1CN(C(C(=O)N[C@H]2Cc3ccccc3C2N)c2ccc(F)cc2F)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 5/20 0.40
OXTR P30559 9/20 0.38
CYP3A4 P08684 2/20 0.36
AVPR2 P30518 2/20 0.36
AVPR1A P37288 2/20 0.36
PYGL P06737 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GHSR Q92847 1/20 0.33
PIN1 Q13526 1/20 0.33
MAPK14 Q16539 2/20 0.33
KDM4D Q6B0I6 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
SCHEMBL19182901 1.00 GRM7 (0.40) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL19183402 0.90 GRM7 (0.36) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL19200271 0.89 GRM7 (0.41) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL19200400 0.89 GRM7 (0.41) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL19182798 0.86 GRM7 (0.39) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL19200482 0.86 GRM7 (0.39) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL19183412 0.85 GRM7 (0.41) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL19183091 0.85 KDM4D (0.41) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL19200952 0.85 KDM4D (0.41) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL20678653 0.83 GRM7 (0.41) GRM7OXTRCYP3A4AVPR2AVPR1A

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-2017131221-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 WO disclosed