SCHEMBL9126004

SCHEMBL9126004

COc1ccc(C(c2ccc(OC)cc2)c2ccccc2CNC2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ EPHX2 P34913 1/20 0.40
▸ TACR1 P25103 12/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CACNA1D Q01668 1/20 0.36
▸ CACNA1S Q13698 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ GPR65 Q8IYL9 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ KDM1A O60341 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
SCHEMBL9523527 0.89 MEN1 (0.36) MEN1CYP2D6CYP2C19KMT2ATACR1
Hydrochloric Acid SCHEMBL9522102 0.83 POLB (0.41) MEN1KMT2AEPHX2TACR1SMN1; SMN2
SCHEMBL3361304 0.75 KDM1A (0.56) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL3360370 0.75 MEN1 (0.58) MEN1CYP2D6CYP2C19KMT2AEPHX2
SCHEMBL10370086 0.68 TRPV6 (0.46) MEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL3360273 0.68 ALDH1A1 (0.59) MEN1KMT2ATACR1SMN1; SMN2KDM1A
SCHEMBL3362808 0.68 KDM1A (0.53) MEN1KMT2AEPHX2SMN1; SMN2HSD11B1
SCHEMBL3361522 0.68 KDM1A (0.53) EPHX2TACR1SMN1; SMN2KDM1A
SCHEMBL9126112 0.68 KDM4E (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL9123842 0.68 KDM4E (0.40) MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5413997-A For treatment of osteoporosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-05-09 — — US disclosed
EP-0395093-A1 Triphenylmethane derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-31 — — EP disclosed
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