SCHEMBL11782775

SCHEMBL11782775

CCN(CCCCCCCCN(CC)Cc1ccc(Oc2ccc(N)cc2)cc1)Cc1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL11780095 0.89 MAPT (0.71) MAPT
SCHEMBL11778606 0.89 MAPT (0.76) MAPT
SCHEMBL11779614 0.81 BCHE (0.49) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL11776699 0.79 KCNH2 (0.60) —
SCHEMBL11791861 0.78 LTA4H (0.53) —
SCHEMBL1956276 0.77 MAPT (0.64) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL1813157 0.77 HRH3 (0.67) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL4370569 0.77 MAOA (0.49) —
SCHEMBL7764341 0.76 KCNH2 (0.59) MAPT
SCHEMBL8724627 0.76 KCNH2 (0.59) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3940441-A BACTERICIDE STERLING DRUG INC. (US) 1976-02-24 — — US disclosed
Send feedback