SCHEMBL6161396

SCHEMBL6161396

N[C@H](Cc1csc2ccccc12)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
TACR1 P25103 1/20 0.45
OPRD1 P41143 1/20 0.43
CYP2A6 P11509 2/20 0.43
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
JUN P05412 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
F10 P00742 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL6161392 0.81 DPP4 (0.48) DPP4DPP8DPP9TACR1OPRD1
SCHEMBL2536963 0.81 DPP4 (0.49) DPP4DPP8DPP9TACR1OPRD1
SCHEMBL2536966 0.81 DPP4 (0.49) DPP4DPP8DPP9TACR1OPRD1
SCHEMBL3743962 0.81 DPP4 (0.49) DPP4DPP8DPP9TACR1OPRD1
SCHEMBL7011991 0.80 OPRD1 (0.51) DPP4DPP8DPP9TACR1OPRD1
Hydrochloric Acid SCHEMBL3743959 0.80 DPP4 (0.48) DPP4DPP8DPP9TACR1OPRD1
SCHEMBL4902378 0.80 OPRD1 (0.51) DPP4DPP8DPP9TACR1OPRD1
Hydrochloric Acid SCHEMBL3743965 0.80 DPP4 (0.48) DPP4DPP8DPP9TACR1OPRD1
Hydrochloric Acid SCHEMBL7008761 0.79 OPRD1 (0.50) DPP4DPP8DPP9TACR1OPRD1
Hydrochloric Acid SCHEMBL4902375 0.79 OPRD1 (0.50) DPP4DPP8DPP9TACR1OPRD1

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed