SCHEMBL7368538

SCHEMBL7368538

N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.61
RAB9A P51151 3/20 0.60
NPC1 O15118 3/20 0.60
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
SIGMAR1 Q99720 3/20 0.54
ADIPOR2 Q86V24 1/20 0.54
ADIPOR1 Q96A54 1/20 0.54
CHRM4 P08173 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL7364841 1.00 SLC6A5 (0.61) SLC6A5RAB9ANPC1POLBSMN1; SMN2
SCHEMBL7371945 0.94 RAB9A (0.55) SLC6A5RAB9ANPC1POLBSMN1; SMN2
SCHEMBL3960091 0.89 SIGMAR1 (0.64) POLBKMT2ASIGMAR1ALDH1A1
SCHEMBL3031894 0.81 FAAH (0.61) LMNAHRH3
SCHEMBL16233177 0.81 SLC6A5 (0.84) SLC6A5MEN1KMT2ASIGMAR1ADIPOR2
SCHEMBL7367718 0.80 KDM2B (0.52) RAB9ANPC1SMN1; SMN2LMNAHRH3
SCHEMBL7345278 0.80 UTS2R (0.57) RAB9ASMN1; SMN2LMNAGAA
SCHEMBL7338585 0.80 UTS2R (0.57) RAB9ASMN1; SMN2LMNAGAA
SCHEMBL7369861 0.80 FAAH (0.62) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL7369855 0.80 FAAH (0.62) RAB9ANPC1SMN1; SMN2TP53MEN1

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-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed