SCHEMBL6163799

SCHEMBL6163799

NC(Cc1csc2ccccc12)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.66
DPP4 P27487 2/20 0.58
DPP8 Q6V1X1 2/20 0.58
DPP9 Q86TI2 2/20 0.58
UTS2R Q9UKP6 1/20 0.43
CALCRL Q16602 8/20 0.42
F10 P00742 2/20 0.42
FAAH O00519 1/20 0.42
CYP3A4 P08684 2/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM4 P08173 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 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
SCHEMBL8409646 1.00 OPRD1 (0.66) OPRD1DPP4DPP8DPP9UTS2R
SCHEMBL3596301 0.83 OPRD1 (0.61) OPRD1DPP4DPP8DPP9CALCRL
SCHEMBL3601983 0.83 OPRD1 (0.61) OPRD1DPP4DPP8DPP9CALCRL
Hydrochloric Acid SCHEMBL3757142 0.82 OPRD1 (0.60) OPRD1DPP4DPP8DPP9CALCRL
SCHEMBL6161491 0.81 CALCRL (0.49) OPRD1CALCRLF10CYP3A4
SCHEMBL6161500 0.81 CALCRL (0.49) OPRD1CALCRLF10CYP3A4
Hydrochloric Acid SCHEMBL6161553 0.81 CALCRL (0.49) OPRD1CALCRLF10CYP3A4
Hydrochloric Acid SCHEMBL6161544 0.81 CALCRL (0.49) OPRD1CALCRLF10CYP3A4
SCHEMBL27546866 0.79 OPRD1 (0.47) OPRD1DPP4DPP8DPP9UTS2R
SCHEMBL4775337 0.79 HDAC8 (0.58) OPRD1DPP4DPP8DPP9

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 1 patent. 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