SCHEMBL7064598

SCHEMBL7064598

CC(c1ccc(Cl)cc1Cl)N1CCC1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.43
SLC6A3 Q01959 1/20 0.41
CCR1 P32246 1/20 0.41
GRM5 P41594 1/20 0.41
P2RX7 Q99572 1/20 0.40
PTGER1 P34995 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7064487 0.90 FKBP1A (0.44) FKBP1ASLC6A3P2RX7CNR1CNR2
SCHEMBL7064406 0.87 P2RX7 (0.42) P2RX7CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7066156 0.86 MAPT (0.47) P2RX7SMN1; SMN2
SCHEMBL7062463 0.85 CCR1 (0.46) FKBP1ASLC6A3CCR1
SCHEMBL7068411 0.84 CNR1 (0.41) SLC6A3CCR1P2RX7CYP2C9CNR1
SCHEMBL6235377 0.82 ALDH1A1 (0.47) P2RX7CNR1CNR2SMN1; SMN2
SCHEMBL7066175 0.82 ALDH1A1 (0.47) P2RX7CNR1CNR2SMN1; SMN2
SCHEMBL6233904 0.82 ALDH1A1 (0.47) P2RX7CNR1CNR2SMN1; SMN2
SCHEMBL7066644 0.82 ALDH1A1 (0.43) FKBP1ACYP2C9CYP2C19CNR1CNR2
SCHEMBL7064409 0.82 CNR1 (0.44) 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