SCHEMBL7064487

SCHEMBL7064487

CC(c1ccc(Cl)cc1Cl)N1CCC1C(=O)OCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.44
SLC6A3 Q01959 1/20 0.43
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
P2RX7 Q99572 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL7064598 0.90 FKBP1A (0.43) FKBP1ASLC6A3L3MBTL1P2RX7CNR1
SCHEMBL7067284 0.85 FKBP1A (0.51) FKBP1ASLC6A3CHRM2CHRM4CHRM5
SCHEMBL7066644 0.85 ALDH1A1 (0.43) FKBP1AL3MBTL1CNR1CNR2
SCHEMBL7066156 0.84 MAPT (0.47) ATMP2RX7
SCHEMBL7066798 0.83 ALDH1A1 (0.39) FKBP1AL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL7068411 0.82 CNR1 (0.41) SLC6A3P2RX7CNR1CNR2
SCHEMBL7066527 0.82 FKBP1A (0.46) FKBP1ACHRM2CHRM4CHRM5CHRM1
SCHEMBL7064406 0.81 P2RX7 (0.42) P2RX7
SCHEMBL6235377 0.81 ALDH1A1 (0.47) P2RX7CNR1CNR2
SCHEMBL6233904 0.81 ALDH1A1 (0.47) P2RX7CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827954-B1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2003-06-04 EP disclosed
US-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
US-5880291-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0827954-A1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-03-11 EP disclosed