SCHEMBL6140740

SCHEMBL6140740

O=C1CN[C@H](c2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.60
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL5738919 1.00 PRCP (0.60) PRCPGAAMAPTSMN1; SMN2MEN1
Tert-Butyl Formate SCHEMBL27626763 0.83 PRCP (0.44) PRCPGAAMAPTSMN1; SMN2MEN1
SCHEMBL2707254 0.80 PRCP (0.47) PRCPGAAMAPTSMN1; SMN2MEN1
SCHEMBL29330477 0.80 PRCP (0.47) PRCPGAAMAPTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL29116034 0.79 PRCP (0.46) PRCPGAAMAPTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL29116032 0.79 PRCP (0.46) PRCPGAAMAPTSMN1; SMN2MEN1
SCHEMBL13911781 0.78 SMN1; SMN2 (0.55) PRCPGAAMAPTSMN1; SMN2MEN1
SCHEMBL4240804 0.78 SMN1; SMN2 (0.55) PRCPGAAMAPTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL28391104 0.77 SMN1; SMN2 (0.53) PRCPGAAMAPTSMN1; SMN2MEN1
SCHEMBL19580516 0.76 HTR2C (0.42) PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515949-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-03-14 EP disclosed
EP-1515949-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2005-11-09 EP disclosed
EP-1515724-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2005-08-17 EP disclosed
EP-1515724-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-23 EP disclosed
EP-1515949-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-23 EP disclosed
WO-2004087050-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2004-10-14 WO disclosed
WO-2003105855-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-24 WO disclosed
WO-2003106417-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-24 WO disclosed