SCHEMBL11211650

SCHEMBL11211650

Cc1cccc(N2CCN(N)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.62
▸ KCNH2 Q12809 4/20 0.60
▸ MAPT P10636 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ DHFR P00374 2/20 0.54
▸ C1S P09871 1/20 0.51
▸ ADRA2C P18825 1/20 0.50
▸ HTR7 P34969 1/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ NOTUM Q6P988 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL10373770 0.90 ADRB1 (0.74) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL11103700 0.90 ADRB1 (0.74) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL11096302 0.84 KCNH2 (0.73) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL7924167 0.82 KCNH2 (0.67) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL8264176 0.82 ADRB1 (0.69) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL12991 0.82 ADRB1 (0.69) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL5043022 0.81 ADRB1 (0.62) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL17281442 0.80 ADRB1 (0.67) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL3307690 0.80 ADRB1 (0.67) ADRB1KCNH2MAPTALDH1A1RAB9A
Hydrochloric Acid SCHEMBL27827352 0.80 ADRB1 (0.67) ADRB1KCNH2MAPTALDH1A1RAB9A

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-0042570-B1 20-DEOXYROSARAMICIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1983-10-19 — — EP disclosed
EP-0042570-A1 20-Deoxyrosaramicin derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1981-12-30 — — EP disclosed
US-4279896-A Novel 20-imino macrolide antibacterial agents SCHERING CORPORATION (US) 1981-07-21 — — US disclosed
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