SCHEMBL19250496

SCHEMBL19250496

COC(=O)[C@@H]1[C@@H](N)[C@@H]2CCC[C@H]1[C@@H]1C[C@@H]12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ PPM1B O75688 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PPP1CC P36873 1/20 0.36
▸ MMP2 P08253 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

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
SCHEMBL8761201 0.93 PPM1B (0.38) CHRM2CHRM4CHRM3PPM1BPTPN1
SCHEMBL8760662 0.93 PPM1B (0.38) CHRM2CHRM4CHRM3PPM1BPTPN1
SCHEMBL7354850 0.80 PPM1B (0.45) CHRM2CHRM4CHRM3PPM1BPTPN1
SCHEMBL16448666 0.80 PPM1B (0.45) CHRM2CHRM4CHRM3PPM1BPTPN1
SCHEMBL14357849 0.79 CHRM2 (0.42) CHRM2CHRM4CHRM3PPM1BPTPN1
SCHEMBL30933030 0.76 PPM1B (0.45) CHRM2CHRM4CHRM3PPM1BPTPN1
SCHEMBL6551846 0.76 PPM1B (0.45) CHRM2CHRM4CHRM3PPM1BPTPN1
SCHEMBL14828638 0.75 CHRNB2 (0.33) PPM1BPTPN1PPP1CCMMP2ANPEP
SCHEMBL24404660 0.74 PPM1B (0.42) PPM1BPTPN1PPP1CCCYP2C19MEN1
SCHEMBL30417584 0.74 PPM1B (0.42) PPM1BPTPN1PPP1CCALOX15TSHR

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
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 — — WO disclosed
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