SCHEMBL5773446

SCHEMBL5773446

Nc1nc2cc(F)ccc2n1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
HTT P42858 2/20 0.55
USP2 O75604 2/20 0.55
TSHR P16473 1/20 0.55
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
HDAC1 Q13547 1/20 0.46
SSTR5 P35346 1/20 0.45
BCHE P06276 1/20 0.45
CPT1A P50416 1/20 0.45
GLA P06280 1/20 0.44
MAPK1 P28482 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
SCHEMBL11716653 0.86 OPRM1 (0.52) ALDH1A1TSHRHTR3EHTR3BHTR3A
SCHEMBL3292185 0.84 ALDH1A1 (0.60) ALDH1A1HTTUSP2TSHRHTR3E
SCHEMBL5377302 0.83 ALDH1A1 (0.58) ALDH1A1HTTUSP2TSHRHTR3E
SCHEMBL5393257 0.83 CCR3 (0.65) ALDH1A1HTTUSP2TSHRHTR3E
Hydrochloric Acid SCHEMBL5382308 0.82 CCR3 (0.64) ALDH1A1HTTUSP2TSHRHTR3E
SCHEMBL17512052 0.80 ALDH1A1 (0.55) ALDH1A1HTTUSP2TSHRHTR3E
SCHEMBL16128201 0.80 ALDH1A1 (0.55) ALDH1A1HTTUSP2TSHRHTR3E
SCHEMBL20685543 0.79 ALDH1A1 (0.61) ALDH1A1DRD2DRD4DRD3ACHE
SCHEMBL6529044 0.76 OPRM1 (0.50) ALDH1A1HTTDRD2DRD4
SCHEMBL7297641 0.76 ALDH1A1 (0.55) ALDH1A1DRD2DRD4DRD3CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898568-B1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH AS (DK) 2006-10-04 EP claimed
EP-0898568-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1999-03-03 EP claimed
WO-1997040035-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1997-10-30 WO claimed
EP-0898568-B1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH AS (DK) 2006-10-04 EP disclosed
US-6180649-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S, HUNTINGTON, PARKINSON DISEASE NEROSEARCH A/S (DK) 2001-01-30 US disclosed
EP-0898568-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1999-03-03 EP disclosed
WO-1997040035-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1997-10-30 WO disclosed