SCHEMBL9217079

SCHEMBL9217079

CC1CCN(Cc2ccc(N(C)CCN3CCNC3=C(C#N)C#N)o2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL9207992 0.93 HRH3 (0.31) HRH3
SCHEMBL9210546 0.90
SCHEMBL9852487 0.90 HRH3 (0.34) HRH3KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9218010 0.90 HRH3 (0.34) HRH3KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9273203 0.89 HRH2 (0.33) HRH3KDM4EALDH1A1HSD17B10
SCHEMBL9213764 0.89 HTT (0.36) HRH3KDM4EALDH1A1HSD17B10
SCHEMBL9212791 0.88 PRKCQ (0.30)
SCHEMBL9276596 0.86 ALDH1A1 (0.34) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL9215394 0.85 HRH3 (0.38) HRH3KDM4EALDH1A1NPSR1
SCHEMBL9219614 0.84 ACHE (0.30) HRH3

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