SCHEMBL9030449

SCHEMBL9030449

Cc1nccn1CC#CCN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.61
CHRM5 P08912 7/20 0.61
CHRM1 P11229 7/20 0.61
LMNA P02545 2/20 0.47
CHRM4 P08173 5/20 0.42
CHRM3 P20309 5/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
P2RX7 Q99572 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL8149708 0.77 ALDH1A1 (0.46) CHRM2CHRM5CHRM1LMNAALDH1A1
SCHEMBL11210727 0.77 KMT2A (0.55) CHRM2CHRM5CHRM1ALDH1A1KMT2A
SCHEMBL9029818 0.76 CHRM2 (1.00) CHRM2CHRM5CHRM1LMNACHRM4
SCHEMBL8697896 0.76 KMT2A (0.53) CHRM2CHRM5CHRM1ALDH1A1KMT2A
SCHEMBL1956056 0.74
SCHEMBL5494269 0.71
SCHEMBL16486488 0.71
SCHEMBL9030400 0.70 LMNA (0.47) LMNA
SCHEMBL892987 0.68 LMNA (1.00) CHRM2CHRM5CHRM1LMNACHRM4
SCHEMBL4779659 0.67 ALDH1A1 (0.72) LMNAALDH1A1KMT2APOLBP2RX7

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-0426714-B1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1996-04-03 EP claimed
EP-0426714-A1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1991-05-15 EP claimed
WO-1990001026-A1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-02-08 WO claimed
EP-0426714-B1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1996-04-03 EP disclosed
US-5100909-A Cholinergic antagonists, analgesics, treatment of Alzheimer*s disease THE UPJOHN COMPANY (US) 1992-03-31 US disclosed
EP-0426714-A1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1991-05-15 EP disclosed
WO-1990001026-A1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-02-08 WO disclosed