SCHEMBL9212131

SCHEMBL9212131

CN(C)Cc1ccc(N(C)CCN2CCNC2=C(C(=O)O)C(=O)O)o1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
SMYD3 Q9H7B4 1/20 0.31
ACHE P22303 9/20 0.31
BCHE P06276 6/20 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
SCHEMBL9219614 0.83 ACHE (0.30) ACHEBCHE
SCHEMBL9212163 0.79 ACHE (0.38) SMYD3ACHEBCHE
SCHEMBL9852507 0.78 SMN1; SMN2 (0.41) ACHEBCHE
SCHEMBL9219510 0.74 HRH3 (0.31)
SCHEMBL9215498 0.74 HRH3 (0.34)
SCHEMBL9218010 0.71 HRH3 (0.34)
SCHEMBL9213764 0.70 HTT (0.36)
SCHEMBL9212791 0.70 PRKCQ (0.30)
SCHEMBL9217518 0.67
SCHEMBL9219620 0.63 ACHE (0.34) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413343-B1 Furan derivatives KYOWA HAKKO KOGYO KK (JP) 1995-08-02 EP disclosed
US-5075301-A FURAN DERIVATIVES USEFUL FOR THE TREATMENT OF GASTRO-INTESTINAL DISORDERS KYOWA HAKKO KOGYO, CO., LTD. (JP) 1991-12-24 US disclosed
EP-0413343-A2 Furan derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-02-20 EP disclosed