SCHEMBL7809477

SCHEMBL7809477

CN1CCCN(Cc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHKA P35790 13/20 0.71
CA2 P00918 1/20 0.67
NCF1 P14598 1/20 0.67
PRMT6 Q96LA8 1/20 0.67
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.56
MC4R P32245 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL270535 0.93 LMNA (0.62) CHKACA2NCF1PRMT6KDM4E
SCHEMBL797985 0.90 ALDH1A1 (0.59) CHKACA2NCF1PRMT6KDM4E
SCHEMBL10212101 0.86 HRH3 (0.65) NCF1KDM4ESIGMAR1ALDH1A1
SCHEMBL1044315 0.86 KCNH2 (0.58) KDM4ELMNASIGMAR1ALDH1A1
SCHEMBL2056180 0.86 CHKA (0.91) CHKACA2NCF1PRMT6KDM4E
SCHEMBL270997 0.84 HRH3 (0.69) NCF1KDM4ESIGMAR1ALDH1A1
SCHEMBL12666600 0.84 HRH3 (0.69) NCF1KDM4ESIGMAR1ALDH1A1
SCHEMBL16121577 0.83 CHKA (1.00) CHKACA2NCF1PRMT6KDM4E
Hydrochloric Acid SCHEMBL7407307 0.83 HRH3 (0.67) NCF1KDM4ESIGMAR1ALDH1A1
SCHEMBL17470856 0.82 KCNH2 (0.49) CHKACA2NCF1PRMT6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140880-A1 HOMOPIPERAZINE DERIVATIVES AS SELECTIVE EMOPAMIL INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP claimed
WO-2000039110-A1 HOMOPIPERAZINE DERIVATIVES AS SELECTIVE EMOPAMIL INHIBITORS ASTRAZENECA AB (SE) 2000-07-06 WO claimed
EP-1140880-A1 HOMOPIPERAZINE DERIVATIVES AS SELECTIVE EMOPAMIL INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000039110-A1 HOMOPIPERAZINE DERIVATIVES AS SELECTIVE EMOPAMIL INHIBITORS ASTRAZENECA AB (SE) 2000-07-06 WO disclosed