SCHEMBL13628368

SCHEMBL13628368

CCC(N)CC(C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 6/20 0.36
▸ CCR1 P32246 5/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ DPP4 P27487 4/20 0.36
▸ TRPV6 Q9H1D0 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33

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
SCHEMBL13628658 0.82 KMT2A (0.38) CCR1ALDH1A1TSHRKMT2A
SCHEMBL13628365 0.82 CCR1 (0.47) CCR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL13627651 0.76 CCR2 (0.39) —
SCHEMBL13627814 0.75 PPARG (0.41) DPP7CCR1DPP4L3MBTL1MEN1
SCHEMBL3326370 0.73 HDAC4 (0.47) TRPV6HDAC4OPRM1OPRD1OPRK1
SCHEMBL4808712 0.72 HDAC4 (0.43) CCR1PDK2TRPV6HDAC4ALDH1A1
SCHEMBL3326302 0.70 PDK2 (0.50) PDK2HDAC4TSHROPRD1OPRK1
SCHEMBL14011034 0.69 CCR2 (0.43) TRPV6
SCHEMBL3326090 0.69 CCR2 (0.43) TRPV6
Hydrochloric Acid SCHEMBL4146036 0.69 CCR2 (0.42) TRPV6

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
US-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 — — US disclosed
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