SCHEMBL7301554

SCHEMBL7301554

N#CN=C(N)N1C2CCC1CC(O)C2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
AR P10275 3/20 0.33

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
SCHEMBL7304406 0.74 LMNA (0.38) LMNACYP2C9CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL7296987 0.73 LMNA (0.45) LMNACYP2C9CHRM2CHRM1CHRM3
SCHEMBL18362302 0.67 GPR119 (0.36) AR
Hydrochloric Acid SCHEMBL7292225 0.66 LMNA (0.44) LMNACYP2C9CHRM2CHRM1CHRM3
SCHEMBL24081325 0.61 LMNA (0.55) LMNACYP2C9CHRM2CHRM1CHRM3
SCHEMBL29378876 0.61 LMNA (0.55) LMNACYP2C9CHRM2CHRM1CHRM3
SCHEMBL10076829 0.61 LMNA (0.55) LMNACYP2C9CHRM2CHRM1CHRM3
SCHEMBL10076833 0.61 LMNA (0.55) LMNACYP2C9CHRM2CHRM1CHRM3
SCHEMBL639674 0.60 CHRM2 (0.52) LMNACYP2C9CHRM2CHRM1CHRM3
SCHEMBL17062522 0.60 CHRM2 (0.52) LMNACYP2C9CHRM2CHRM1CHRM3

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