SCHEMBL18600413

SCHEMBL18600413

CC(CO)NC(=O)C1CC=C(c2ccc(OCC3CCN(C)CC3)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 5/20 0.43
▸ ACACB O00763 9/20 0.39
▸ NAMPT P43490 2/20 0.35
▸ SYK P43405 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ PTGES O14684 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ AXL P30530 1/20 0.34

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
SCHEMBL18600381 0.92 ATM (0.42) ATMACACBNAMPTSYK
SCHEMBL21768658 0.92 ATM (0.38) ATMACACBSYKACACAPTGES
SCHEMBL21768660 0.92 ATM (0.38) ATMACACBSYKACACAPTGES
SCHEMBL18574878 0.88 GPR119 (0.44) —
SCHEMBL18574881 0.88 GPR119 (0.44) —
SCHEMBL18574924 0.88 GPR119 (0.44) —
SCHEMBL18600415 0.86 ATM (0.42) ATMACACBNAMPTSYKPTGES
SCHEMBL18601716 0.84 ATM (0.39) ATMACACBNAMPTSYKPTGES
SCHEMBL18601286 0.83 ATM (0.39) ATMACACBNAMPTSYKPTGES
SCHEMBL21768684 0.83 GPR119 (0.36) ATMACACBSYKPTGES

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-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
US-9126961-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2015-09-08 — — US disclosed
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