SCHEMBL11169262

SCHEMBL11169262

Cc1ccc(C)n1Nc1ccc(N2CCCCC2)nn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ BPTF Q12830 5/20 0.43
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TP53 P04637 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ THRB P10828 1/20 0.36

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
SCHEMBL11166349 0.98 CYP1A2 (0.45) CYP1A2BPTFHTTSMN1; SMN2CHRM4
SCHEMBL11163911 0.86 KDM4E (0.42) CYP1A2BPTFSMN1; SMN2NPC1RAB9A
Mopidralazine SCHEMBL2109925 0.85 KDM4E (0.53) BPTFHTTSMN1; SMN2NPC1RAB9A
SCHEMBL11162271 0.85 BPTF (0.60) CYP1A2BPTFHTTKDM4E
SCHEMBL11167255 0.85 BPTF (0.41) CYP1A2BPTFHTTSMN1; SMN2CNR2
SCHEMBL26739775 0.78 CYP1A2 (0.55) CYP1A2BPTFHTTSMN1; SMN2CHRM4
SCHEMBL18912708 0.76 CYP1A2 (0.52) CYP1A2BPTFHTTSMN1; SMN2CHRM4
SCHEMBL14503215 0.75 CYP1A2 (0.75) CYP1A2BPTFHTTSMN1; SMN2CHRM4
SCHEMBL11260280 0.75 CYP1A2 (0.55) CYP1A2BPTFCHRM4NPC1RAB9A
SCHEMBL11164123 0.75 CYP1A2 (0.55) CYP1A2BPTFCHRM4NPC1RAB9A

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
EP-0009655-B1 6-AMINO SUBSTITUTED N-PYRROLYL-3-PYRIDAZINE AMINES, THEIR PREPARATION, AND PHARMACEUTICALLY ANTIHYPERTENSIVE COMPOSITIONS CONTAINING THEM GRUPPO LEPETIT S.P.A. (IT) 1983-05-11 — — EP disclosed
US-4247551-A N-Pyrrolyl-pyridazineamines and their use as antihypertensive agents GRUPPO LEPETIT S.P.A. (IT) 1981-01-27 — — US disclosed
EP-0009655-A1 6-Amino substituted N-pyrrolyl-3-pyridazine amines, their preparation, and pharmaceutically antihypertensive compositions containing them GRUPPO LEPETIT S.P.A. (IT) 1980-04-16 — — EP disclosed
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