SCHEMBL9536781

SCHEMBL9536781

CCC(=O)N1Cc2cnn(C)c2-c2cc(N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP11B1 P15538 3/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ BRD4 O60885 3/20 0.38
▸ HSD17B3 P37058 1/20 0.37
▸ PTK2 Q05397 2/20 0.35
▸ ATAD2 Q6PL18 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ AVPR1A P37288 4/20 0.32
▸ OXTR P30559 1/20 0.32

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
SCHEMBL9537279 0.86 ADORA3 (0.43) KDM4EHTTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL9538217 0.77 CYP11B1 (0.39) KDM4EHTTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL9538692 0.74 ADORA3 (0.42) KDM4EHTTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL9538271 0.73 ADORA3 (0.40) KDM4EHTTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL9540686 0.73 HTR2A (0.37) KDM4EHSD17B3AVPR1AOXTR
SCHEMBL9537919 0.72 AVPR1A (0.40) KDM4EBRD4HSD17B3ALDH1A1AVPR1A
SCHEMBL9537519 0.72 ADORA3 (0.41) KDM4EHTTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL9535510 0.72 BRD4 (0.37) BRD4HSD17B3
SCHEMBL9540537 0.71 ADORA3 (0.42) KDM4EHTTSMN1; SMN2HSD17B3ALDH1A1
SCHEMBL9537679 0.71 ADORA3 (0.39) KDM4EHTTSMN1; SMN2CYP11B1CYP11B2

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-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 — — EP disclosed
US-4767780-A SUBSTITUTED 1,4-DIHYDRO-(1)-BENZOPYRANO(4,3-C)PYRAZOLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 — — US disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 — — US disclosed
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 — — EP disclosed
Send feedback