SCHEMBL7302587

SCHEMBL7302587

CNC(=NC#N)N1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL17992450 0.90 DPP4 (0.33) GPR119KDM4EALDH1A1
SCHEMBL10713252 0.85
SCHEMBL2632043 0.81 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL17992445 0.81 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL22296853 0.80 CA12 (0.40) KDM4EALDH1A1
SCHEMBL18867784 0.79 ALDH1A1 (0.38) KDM4EALDH1A1
SCHEMBL15431996 0.78 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL16906760 0.74 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL7304406 0.72 LMNA (0.38)
SCHEMBL17992446 0.72 DPP4 (0.35) GPR119KDM4EALDH1A1

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
US-5252570-A Amidino and guanidino derivatives B.I. ITALIA (IT) 1993-10-12 US disclosed
US-5047410-A Indolyl derivatives and their use as 5-HT3, receptor antagonists ISTITUTO DE ANGELI S.P.A. (IT) 1991-09-10 US disclosed
EP-0351385-A2 New amidino and guanidino derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-01-17 EP disclosed