SCHEMBL7785964

SCHEMBL7785964

NCCc1ccccc1-c1ccc(CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
ADRA2C P18825 1/20 0.47
TAAR1 Q96RJ0 8/20 0.47
DPP4 P27487 1/20 0.47
BACE1 P56817 2/20 0.45
HTR2A P28223 3/20 0.44
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
KIF11 P52732 1/20 0.42
TSHR P16473 1/20 0.41
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL7791854 0.85 DPP4 (0.67) MAOBTAAR1DPP4PTGER1PTGER4
SCHEMBL9839608 0.82 TAAR1 (0.52) MAOBADRA2CTAAR1DPP4HTR2A
SCHEMBL1868872 0.82 DPP4 (0.68) MAOBADRA2CTAAR1DPP4BACE1
SCHEMBL6448256 0.82 TSHR (0.50) DPP4PTGER1PTGER4PTGER3PTGER2
SCHEMBL13818518 0.81 PPARA (0.51) DPP4PTGER1PTGER4PTGER3PTGER2
SCHEMBL9200168 0.79 TAAR1 (0.53) MAOBADRA2CTAAR1DPP4HTR2A
SCHEMBL3904438 0.79 TAAR1 (0.55) MAOBADRA2CTAAR1DPP4HTR2A
Boric Acid SCHEMBL28704755 0.79 DPP4 (0.59) MAOBADRA2CTAAR1DPP4BACE1
SCHEMBL7791575 0.77 PTGER1 (0.40) ADRA2CDPP4PTGER1PTGER4PTGER3
SCHEMBL8517521 0.77 PPARA (0.50) DPP4PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP disclosed
US-5968924-A HAVE THE ABILITY TO STIMULATE THE RELEASE OF NATURAL OR ENDOGENOUS GROWTH HORMONE; TREATMENT OF OBESITY, OSTEOPOROSIS MERCK & CO., INC. (US) 1999-10-19 US disclosed
US-5672596-A ANIMAL GROWTH CONTROLLERS MERCK & CO., INC. (US) 1997-09-30 US disclosed
EP-0659179-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1995-08-09 EP disclosed
EP-0659179-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-06-28 EP disclosed
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed