SCHEMBL8973036

SCHEMBL8973036

CCC(N1CCCC1)N1c2ccccc2Sc2ccccc21.CCCNC=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM1A O60341 5/20 0.37
ACHE P22303 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
GAA P10253 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1A P07327 1/20 0.34
ADH7 P40394 1/20 0.34

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
SCHEMBL9331538 0.78 BCHE (0.46) BCHENPSR1ACHEALDH1A1
Hydrochloric Acid SCHEMBL9332148 0.77 LMNA (0.45) BCHENPSR1ACHEALDH1A1
SCHEMBL9334774 0.76 BCHE (0.41) BCHENPSR1ACHEMAPTALDH1A1
SCHEMBL9501784 0.74 BCHE (0.47) BCHEALDH1A1
SCHEMBL144450 0.74 KDM1A (0.50) BCHEKDM1AACHEMAPTALDH1A1
Hydrochloric Acid SCHEMBL9784864 0.74 BCHE (0.47) BCHEALDH1A1
Hydrochloric Acid SCHEMBL9332079 0.73 HRH1 (0.43) BCHENPSR1MAPTUSP2ALDH1A1
SCHEMBL9332058 0.73 HDAC3 (0.45) BCHENPSR1MAPTUSP2ALDH1A1
SCHEMBL9331502 0.73 DRD3 (0.44) KDM1AACHEMAPTUSP2ALDH1A1
Hydrochloric Acid SCHEMBL9331483 0.72 DRD3 (0.44) BCHENPSR1KDM1AACHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633780-B1 USE OF PHENOTHIAZINE DERIVATIVES FOR TREATING ISCHAEMIA AND/OR HYPOXIA RHONE POULENC RORER SA (FR) 1996-06-05 EP claimed
US-5502049-A AMINOALKYL AND AMIDE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-03-26 US claimed