SCHEMBL9540853

SCHEMBL9540853

CCC(C)C(C)C(=O)N1CCC(=O)c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.41
▸ DRD4 P21917 1/20 0.36
▸ SRD5A1 P18405 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ PTPN11 Q06124 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ AVPR2 P30518 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL9535907 0.80 NOTUM (0.47) NOTUMDRD4MAPTTP53
SCHEMBL11147651 0.78 NOTUM (0.66) NOTUMMAPTHSD17B3
SCHEMBL11141196 0.76 NOTUM (0.48) NOTUMDRD4SRD5A1AVPR2RAB9A
SCHEMBL9539428 0.76 GABRA1 (0.33) NOTUMALDH1A1KDM4EKMT2AHSD17B3
SCHEMBL9539432 0.76 GABRA1 (0.33) NOTUMALDH1A1KDM4EKMT2AHSD17B3
SCHEMBL11069145 0.75 NOTUM (0.47) NOTUMSRD5A1ALDH1A1MAPTTP53
SCHEMBL11147595 0.75 NOTUM (0.47) NOTUMSRD5A1MAPTTP53HTR2A
SCHEMBL9539211 0.74 ADRB2 (0.46) NOTUMPTPN11MAPTSMN1; SMN2NPC1
SCHEMBL9537656 0.73 PSEN1 (0.42) ALDH1A1MAPTKDM4EKMT2AHSD17B3
SCHEMBL10751151 0.73 HSD17B3 (0.34) NOTUMALDH1A1KDM4EHSD17B3

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
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