SCHEMBL4763558

SCHEMBL4763558

Cc1ccc2ncn(Cc3ccc(CN4CCC(N)C4)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 4/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM1A O60341 1/20 0.45
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 2/20 0.43
BRD4 O60885 5/20 0.42
EP300 Q09472 1/20 0.42
CREBBP Q92793 1/20 0.42
TNF P01375 1/20 0.39
QPCT Q16769 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MAPK1 P28482 1/20 0.38
DDR1 Q08345 1/20 0.38
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37
NTRK2 Q16620 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
SCHEMBL2881324 0.84 HRH3 (0.52) CYP11B1CYP11B2HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL2887059 0.82 CYP11B1 (0.56) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL4215258 0.78 KDM1A (0.60) LMNAKDM1AALDH1A1HRH3
SCHEMBL22254428 0.78 KDM1A (0.60) LMNAKDM1AALDH1A1HRH3
SCHEMBL5692019 0.78 KDM1A (0.60) LMNAKDM1AALDH1A1HRH3
Hydrochloric Acid SCHEMBL4222870 0.77 KDM1A (0.58) LMNAKDM1AALDH1A1HRH3
SCHEMBL15345063 0.75 CYP11B1 (0.68) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL4792995 0.73 LTA4H (0.37) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL2883883 0.73 HRH3 (0.52) KCNH2QPCTHRH3DDR1
SCHEMBL4942172 0.72 MKNK1 (0.50) CYP11B1CYP11B2HTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed