SCHEMBL4762035

SCHEMBL4762035

Cc1ccc2c(c1)ncn2Cc1ccc(C(=O)[N+]2(C3CCNC3)CCCC2Cc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ PPARG P37231 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ NR1I2 O75469 2/20 0.36
▸ HRH3 Q9Y5N1 6/20 0.36
▸ CDK9 P50750 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
SCHEMBL4792853 0.88 CDK9 (0.38) HDAC1HDAC8IDO1PPARGSMN1; SMN2
SCHEMBL4793844 0.83 HRH3 (0.39) HDAC1HDAC8IDO1PPARGSMN1; SMN2
SCHEMBL4762113 0.78 CDK9 (0.43) IDO1SMN1; SMN2ALDH1A1LMNACYP11B1
SCHEMBL4791558 0.70 HRH3 (0.37) HDAC1SMN1; SMN2ALDH1A1LMNACYP11B1
SCHEMBL15345067 0.69 CYP11B1 (0.68) SMN1; SMN2ALDH1A1LMNACYP11B1CYP11B2
SCHEMBL2878971 0.67 HRH3 (0.58) F2HRH3
SCHEMBL2881787 0.65 BRD4 (0.60) HDAC1IDO1PPARGSMN1; SMN2ALDH1A1
SCHEMBL14376776 0.65 HDAC6 (0.70) HDAC1HDAC8IDO1PPARGSMN1; SMN2
SCHEMBL4155158 0.65 HPGD (0.43) SMN1; SMN2ALDH1A1
SCHEMBL13559830 0.65 CYP11B1 (0.71) SMN1; SMN2ALDH1A1LMNACYP11B1CYP11B2

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