SCHEMBL9554607

SCHEMBL9554607

CCOC(=O)CCNCCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
SCN5A Q14524 1/20 0.47
CACNA1B Q00975 2/20 0.46
SLC6A3 Q01959 3/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
FAAH O00519 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
TBXA2R P21731 1/20 0.42
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
Hydrochloric Acid SCHEMBL9501139 0.81 SCN5A (0.53) SCN5ACACNA1BSLC6A3TBXA2RMEN1
SCHEMBL361963 0.78 MAPT (0.43) MEN1KMT2ACYP2C19
SCHEMBL10257970 0.78 MAPT (0.40) MEN1KMT2ACYP2C19
SCHEMBL5026067 0.77 CYP3A4 (0.58) LTA4HCYP3A4CYP2D6CYP2C19
SCHEMBL15094479 0.76 CYP1A2 (0.40) LTA4HCACNA1BCYP3A4CYP2D6FAAH
SCHEMBL6006300 0.76 LTA4H (0.56) LTA4HCYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL3735417 0.75 CA12 (0.51) LTA4HMEN1KMT2ASMN1; SMN2CYP2C19
Bromide SCHEMBL11583932 0.74 SCN5A (0.55) SCN5ACACNA1BSLC6A3CYP3A4CYP2D6
SCHEMBL3641329 0.74 HPGD (0.55) CYP3A4CYP2D6TSHRMAPK1MEN1
SCHEMBL10291728 0.74 MAPT (0.38) MEN1KMT2ACYP2C19

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-5190930-A Calcium metabolism disorder CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
US-5110807-A Calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed