SCHEMBL7768355

SCHEMBL7768355

CCC(=O)Nc1ccc(C(C[C@@H](C)C(N)(Oc2ccccc2)C(C)O)c2ccc(NC(=O)CC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 1/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 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
SCHEMBL7772529 0.88 SMN1; SMN2 (0.47) RAB9ANPC1MAPTGAAALDH1A1
Hydrochloric Acid SCHEMBL7768572 0.88 GLA (0.41) RAB9ANPC1MAPTGAAALDH1A1
Hydrochloric Acid SCHEMBL7769436 0.86 RAB9A (0.51) RAB9ANPC1MAPTGAAALDH1A1
SCHEMBL7769550 0.81 PGR (0.45) RAB9ANPC1HPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL7769556 0.74 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL7768353 0.73 RAB9A (0.50) RAB9ANPC1MAPTGAAALDH1A1
SCHEMBL6323886 0.71 ADRB1 (0.53) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6323884 0.71 ADRB1 (0.53) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL2173035 0.68 MTNR1A (0.73) RAB9ANPC1MAPTGAAALDH1A1
SCHEMBL7612159 0.68 RAB9A (0.46) RAB9ANPC1MAPTGAAALDH1A1

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
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed