SCHEMBL18703939

SCHEMBL18703939

Fc1cc(C(F)(F)F)ccc1-n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.52
▸ KCNMA1 Q12791 3/20 0.48
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RAB9A P51151 3/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTPN1 P18031 2/20 0.40

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
SCHEMBL25873798 0.79 KCNMA1 (0.50) KCNMA1ALDH1A1LMNARAB9ATSHR
SCHEMBL14610056 0.74 KCNMA1 (0.54) KCNMA1MAPTALDH1A1LMNAHTT
SCHEMBL19704930 0.73 KCNMA1 (0.47) GRM2KCNMA1MAPTALDH1A1HPGD
SCHEMBL20821940 0.72 KCNMA1 (0.46) GRM2KCNMA1MAPTALDH1A1HPGD
SCHEMBL19848254 0.72 L3MBTL1 (0.60) KCNMA1MAPTALDH1A1HPGDLMNA
SCHEMBL19915941 0.72 L3MBTL1 (0.50) GRM2KCNMA1MAPTALDH1A1HPGD
SCHEMBL17950009 0.71 KIF11 (0.53) GRM2KCNMA1MAPTALDH1A1L3MBTL1
SCHEMBL25873809 0.71 KCNMA1 (0.50) KCNMA1MAPTALDH1A1LMNARAB9A
SCHEMBL24401805 0.70 ALDH1A1 (0.45) GRM2KCNMA1MAPTALDH1A1HPGD
SCHEMBL22328685 0.70 SMN1; SMN2 (0.47) KCNMA1MAPTALDH1A1HPGDLMNA

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
EP-3150578-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST Mitsubishi Tanabe Pharma Corporation (JP) 2017-04-05 — — EP disclosed
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