SCHEMBL29524293

SCHEMBL29524293

COC(=O)[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
AGTR2 P50052 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP2 P08253 2/20 0.38
ANPEP P15144 1/20 0.38
FKBP1A P62942 1/20 0.38
PTPN1 P18031 1/20 0.38
PREP P48147 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6536648 1.00 CCNT1 (0.41) CCNT1CDK9NR1H2NR1H3AGTR2
SCHEMBL29889444 0.99 CCNT1 (0.41) CCNT1CDK9NR1H2NR1H3AGTR2
SCHEMBL4309208 0.99 CCNT1 (0.41) CCNT1CDK9NR1H2NR1H3AGTR2
SCHEMBL4309204 0.99 CCNT1 (0.41) CCNT1CDK9NR1H2NR1H3AGTR2
SCHEMBL14915300 0.88 USP2 (0.44) CCNT1CDK9NR1H2NR1H3AGTR2
SCHEMBL15397259 0.88 USP2 (0.44) CCNT1CDK9NR1H2NR1H3AGTR2
SCHEMBL22333707 0.87 HSD17B10 (0.41) NR1H2NR1H3ALDH1A1FKBP1APTPN1
SCHEMBL4316869 0.87 CCNT1 (0.40) CCNT1CDK9NR1H2NR1H3AGTR2
SCHEMBL4316868 0.87 CCNT1 (0.40) CCNT1CDK9NR1H2NR1H3AGTR2
SCHEMBL21950735 0.86 CCNT1 (0.41) CCNT1CDK9NR1H2NR1H3AGTR2

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-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed