SCHEMBL8876595

SCHEMBL8876595

COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(C4CCCCC4)oc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.61
ADRA1D P25100 3/20 0.61
ADRA1A P35348 3/20 0.61
ADRA1B P35368 3/20 0.61
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD3 P35462 2/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 1/20 0.46

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
SCHEMBL8875383 0.91 ADRA1A (0.74) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL8876214 0.91 ADRA1A (0.74) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL8875386 0.90 HTR1A (0.75) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL8875957 0.87 HTR1A (0.77) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL7050907 0.87 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BTP53
SCHEMBL8875767 0.86 HTR1A (0.77) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL7051161 0.86 ADRA1D (0.64) HTR1AADRA1DADRA1AADRA1BTP53
SCHEMBL7052077 0.86 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BTP53
SCHEMBL7050096 0.85 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BTP53
SCHEMBL8875520 0.85 HTR1A (0.84) HTR1AADRA1DADRA1AADRA1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658587-A TRANSDERMAL PATCH FLORA INC. (US) 1997-08-19 US claimed
WO-1997014419-A1 TRANSDERMAL DELIVERY OF ALPHA ADRENOCEPTOR BLOCKING AGENTS FLORA INC. (US) 1997-04-24 WO claimed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US claimed
US-5658587-A TRANSDERMAL PATCH FLORA INC. (US) 1997-08-19 US disclosed
WO-1997014419-A1 TRANSDERMAL DELIVERY OF ALPHA ADRENOCEPTOR BLOCKING AGENTS FLORA INC. (US) 1997-04-24 WO disclosed