SCHEMBL9518397

SCHEMBL9518397

CN(C)CCCc1nc2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.67
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ HRH1 P35367 5/20 0.55
▸ CYP2D6 P10635 4/20 0.55
▸ KCNH2 Q12809 4/20 0.55
▸ AGTR1 P30556 3/20 0.54
▸ AGTR2 P50052 3/20 0.54
▸ POLB P06746 1/20 0.52
▸ CHRM1 P11229 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL9518580 0.90 MEN1 (0.61) HDAC1HDAC6CYP2D6AGTR1AGTR2
SCHEMBL9518750 0.82 HDAC1 (0.69) RAB9AHDAC1HDAC6CYP2D6AGTR1
SCHEMBL11746981 0.79 MEN1 (0.77) RAB9AHRH1CYP2D6KCNH2POLB
SCHEMBL9086870 0.74 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL13508735 0.74 AGTR1 (0.72) RAB9AHRH1CYP2D6KCNH2AGTR1
SCHEMBL20879390 0.74 HDAC1 (0.81) HDAC1HDAC6KCNH2AGTR1AGTR2
SCHEMBL29411886 0.74 AGTR1 (0.76) AGTR1AGTR2ALDH1A1
SCHEMBL28487275 0.74 AGTR1 (0.76) AGTR1AGTR2ALDH1A1
SCHEMBL229324 0.74 MEN1 (0.78) RAB9ACYP2D6AGTR1AGTR2POLB
SCHEMBL15705709 0.74 HDAC1 (0.84) HDAC1HDAC6KCNH2AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350467-B1 Pharmacologically active benzimidazole derivatives DOMPE FARMACEUTICI SPA (IT) 1993-12-29 — — EP claimed
US-4971980-A ANTIHISTAMINES DOMPE FARMACEUTICI S.P.A. (IT) 1990-11-20 — — US claimed
EP-0350467-A1 Pharmacologically active benzimidazole derivatives DOMPE' FARMACEUTICI S.p.A. (IT) 1990-01-10 — — EP claimed
EP-0350467-B1 Pharmacologically active benzimidazole derivatives DOMPE FARMACEUTICI SPA (IT) 1993-12-29 — — EP disclosed
US-4971980-A ANTIHISTAMINES DOMPE FARMACEUTICI S.P.A. (IT) 1990-11-20 — — US disclosed
Send feedback