SCHEMBL7966412

SCHEMBL7966412

C[C@H](Oc1ccc2cc(CCCN3CCOCC3)ccc2c1)[C@H](O)CCc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
EPHX2 P34913 2/20 0.44
SIGMAR1 Q99720 2/20 0.40
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL7982986 0.85 FKBP1A (0.47) ALDH1A1KMT2A
SCHEMBL7982982 0.85 FKBP1A (0.47) ALDH1A1KMT2A
SCHEMBL7966194 0.81 CACNA2D1 (0.41) POLBNAMPT
SCHEMBL7976964 0.81 CACNA2D1 (0.41) POLBNAMPT
SCHEMBL7976695 0.79 RAB9A (0.46) POLBSMN1; SMN2ALDH1A1KMT2ANAMPT
SCHEMBL7976690 0.78 USP2 (0.45) USP2POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8195153 0.77 EPHX2 (0.48) USP2EPHX2POLBSMN1; SMN2GAA
SCHEMBL8195150 0.77 EPHX2 (0.48) USP2EPHX2POLBSMN1; SMN2GAA
SCHEMBL7982586 0.77 CCNC (0.40) POLBSMN1; SMN2HTT
SCHEMBL7982584 0.77 CCNC (0.40) POLBSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US claimed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP claimed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO claimed
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed