SCHEMBL9835913

SCHEMBL9835913

CC(C)N(CC(=O)NC1c2ccccc2OCc2ncccc21)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.36
TERT O14746 1/20 0.34
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
SPPL2A Q8TCT8 1/20 0.33
TBXAS1 P24557 1/20 0.32
MAPK14 Q16539 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9836562 0.86 P2RX7 (0.36) P2RX7KMT2AMAPTLMNA
SCHEMBL9836237 0.82 ALDH1A1 (0.41) P2RX7MAPTLMNASMN1; SMN2
SCHEMBL9834568 0.80 HSP90AA1 (0.38) TBXAS1MAPK14
SCHEMBL9836786 0.78 DRD2 (0.43) TERTKMT2ASMN1; SMN2
SCHEMBL9836629 0.71 CYP2C19 (0.41) KMT2ATBXAS1LMNA
SCHEMBL8797476 0.71 MAPT (0.43) P2RX7TERTKMT2AMAPTTBXAS1
SCHEMBL9834971 0.70 ALDH1A1 (0.36) KMT2ATBXAS1
SCHEMBL9836996 0.69 MAOA (0.48) P2RX7TERTMAPTMAPK14LMNA
SCHEMBL9836548 0.68 LMNA (0.35) P2RX7TERTKMT2AMAPTMAPK14
SCHEMBL8797939 0.68 LMNA (0.47) KMT2AMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129879-B1 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-09-11 EP claimed
US-4547496-A Antiulcer [1] benzepino[3,4-b]pyridine and compositions KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-10-15 US claimed
EP-0129879-A2 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-02 EP claimed
JP-60078985-A None JP disclosed
EP-0129879-B1 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-09-11 EP disclosed
US-4547496-A Antiulcer [1] benzepino[3,4-b]pyridine and compositions KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-10-15 US disclosed
JP-S6078985-A NOVEL (1)BENZEPINO(3,4-B)PYRIDINE DERIVATIVE KYOWA HAKKO KOGYO CO LTD 1985-05-04 JP disclosed