SCHEMBL17805403

SCHEMBL17805403

Cc1cccc(F)c1C(=O)N1CCCCC1c1ccc(CN2CCCC2C(C)(C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.38
GPBAR1 Q8TDU6 3/20 0.37
PREP P48147 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
OPRK1 P41145 9/20 0.37
OPRM1 P35372 8/20 0.37
OPRD1 P41143 5/20 0.37
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
KCNK3 O14649 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL18801701 0.82 SMN1; SMN2 (0.41) GPBAR1PREPLMNA
SCHEMBL18532583 0.79 GPBAR1 (0.49) RIPK1GPBAR1LMNA
SCHEMBL17805431 0.79 GPBAR1 (0.49) RIPK1GPBAR1LMNA
SCHEMBL14960538 0.78 UBE2M (0.36) ALDH1A1
SCHEMBL21163658 0.78 UBE2M (0.36) ALDH1A1
SCHEMBL18609282 0.78 UBE2M (0.36) ALDH1A1
SCHEMBL26006171 0.78 PREP (0.46) RIPK1GPBAR1PREPLMNA
SCHEMBL2585472 0.78 OPRK1 (0.36) PREPOPRK1OPRM1OPRD1RAB9A
SCHEMBL2585476 0.78 OPRK1 (0.36) PREPOPRK1OPRM1OPRD1RAB9A
SCHEMBL2580248 0.78 OPRK1 (0.36) PREPOPRK1OPRM1OPRD1RAB9A

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-2381778-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2016-06-08 EP disclosed