SCHEMBL7801440

SCHEMBL7801440

ClC1CN(c2ccccn2)CCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.58
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
CYP3A4 P08684 3/20 0.47
USP2 O75604 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.44
GRIN2B Q13224 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43

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
SCHEMBL2244221 0.83 PLD1 (0.60) PLD1ALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL31745447 0.83 PLD1 (0.60) PLD1ALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL234735 0.83 PLD1 (0.60) PLD1ALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL709716 0.83 PLD1 (0.60) PLD1ALDH1A1HSD17B10SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL31046391 0.81 PLD1 (0.58) PLD1ALDH1A1HSD17B10SMN1; SMN2HPGD
Bromide SCHEMBL4002506 0.81 PLD1 (0.58) PLD1ALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL1127392 0.81 PLD1 (0.58) PLD1ALDH1A1HSD17B10SMN1; SMN2HPGD
Bromide SCHEMBL4002504 0.81 PLD1 (0.58) PLD1ALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL4661349 0.80 PLD1 (0.51) PLD1ALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL10846644 0.80 ALDH1A1 (0.52) PLD1ALDH1A1HSD17B10HPGDCYP3A4

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-0765320-B1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER (US) 2001-10-10 EP disclosed
US-5883094-A Benzimidazolone derivatives with central dopaminergic activity PFIZER INC. (US) 1999-03-16 US disclosed
EP-0765320-A1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-04-02 EP disclosed
WO-1995034555-A1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1995-12-21 WO disclosed