SCHEMBL18601726

SCHEMBL18601726

CN1CCC(COc2ccc(C3=CCC(C=O)CC3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 5/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CXCR1 P25024 1/20 0.36
▸ ACHE P22303 2/20 0.35
▸ ACACB O00763 2/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ RET P07949 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ TDO2 P48775 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
SCHEMBL18600634 0.83 GPR119 (0.50) GPR119
SCHEMBL18601716 0.79 ATM (0.39) ATMACACBLIPENAMPTSYK
SCHEMBL18600450 0.79 TLR9 (0.38) HRH3CXCR1ACACBRETSLC6A4
SCHEMBL18600381 0.78 ATM (0.42) ATMACACBNAMPTSYKGPR119
SCHEMBL18601286 0.78 ATM (0.39) ATMACACBLIPENAMPTSYK
SCHEMBL18601071 0.78 NAMPT (0.39) ATMACACBLIPENAMPTSYK
SCHEMBL18600413 0.77 ATM (0.43) ATMACACBNAMPTSYK
SCHEMBL18600415 0.77 ATM (0.42) ATMACACBNAMPTSYK
SCHEMBL21779508 0.72 MAOA (0.44) CXCR1
SCHEMBL18600479 0.72 GPR119 (0.52) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138834-B1 CYCLOHEXENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING METABOLIC DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO LTD (KR) 2020-03-04 — — EP disclosed
EP-3138834-A1 CYCLOHEXENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING METABOLIC DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-03-08 — — EP disclosed
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