SCHEMBL8909896

SCHEMBL8909896

CC(C)[C@@H](N)COc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
MAOA P21397 1/20 0.58
PTGS1 P23219 1/20 0.58
SCN4A P35499 6/20 0.57
CYP2D6 P10635 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
THPO P40225 1/20 0.56
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
AKT1 P31749 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KCNA3 P22001 1/20 0.43

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
SCHEMBL4442204 0.83 LMNA (0.63) LMNAMAOAPTGS1SCN4ACYP2D6
SCHEMBL366154 0.83 LMNA (0.63) LMNAMAOAPTGS1SCN4ACYP2D6
SCHEMBL507119 0.83 LMNA (0.63) LMNAMAOAPTGS1SCN4ACYP2D6
SCHEMBL19618883 0.82 CYP3A4 (0.55) LMNAMAOAPTGS1SCN4ACYP2D6
SCHEMBL19618917 0.82 CYP3A4 (0.55) LMNAMAOAPTGS1SCN4ACYP2D6
Hydrochloric Acid SCHEMBL28934580 0.81 LMNA (0.61) LMNAMAOAPTGS1SCN4ACYP2D6
Hydrochloric Acid SCHEMBL21315607 0.81 LMNA (0.61) LMNAMAOAPTGS1SCN4ACYP2D6
Ammonia Solution, Strong SCHEMBL9819193 0.81 LMNA (0.61) LMNAMAOAPTGS1SCN4ACYP2D6
Hydrochloric Acid SCHEMBL19668691 0.81 LMNA (0.61) LMNAMAOAPTGS1SCN4ACYP2D6
SCHEMBL18295391 0.79 SCN4A (0.47) LMNASCN4ACYP2D6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672588-A Purine derivatives NOVO NORDISK A/S (DK) 1997-09-30 US disclosed
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP disclosed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed