SCHEMBL8554604

SCHEMBL8554604

COC(=O)CCN1CCC(N)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.71
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GNAI3 P08754 2/20 0.43
GNAO1 P09471 2/20 0.43
GNAI1 P63096 2/20 0.43
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.38
CACNA1C Q13936 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL7588216 0.98 SMN1; SMN2 (0.69) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL28048043 0.90 SMN1; SMN2 (0.58) SMN1; SMN2POLBHTTTP53TSHR
Hydrochloric Acid SCHEMBL7585211 0.88 SMN1; SMN2 (0.56) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL24001294 0.87 SMN1; SMN2 (0.55) SMN1; SMN2POLBHTTTSHRALDH1A1
Hydrochloric Acid SCHEMBL28920811 0.85 GNAI3 (0.57) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL5231802 0.84 SMN1; SMN2 (0.68) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL8485788 0.84 SMN1; SMN2 (0.68) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL8714085 0.83 SMN1; SMN2 (0.50) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL1174392 0.82
SCHEMBL4489670 0.82 SMN1; SMN2 (0.65) SMN1; SMN2TP53TSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023014611-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF YEH, TENG-KUANG (US) 2023-02-09 WO disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed