SCHEMBL9052502

SCHEMBL9052502

c1ccc(C(c2ccccc2)N2CCCN(CCCc3nnn[nH]3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.54
DRD3 P35462 6/20 0.54
P2RX7 Q99572 8/20 0.51
ADRA1B P35368 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
DRD4 P21917 1/20 0.45

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
SCHEMBL9053324 0.95 P2RX7 (0.55) DRD2DRD3P2RX7ADRA1BHDAC4
SCHEMBL9052509 0.92 P2RX7 (0.57) DRD2DRD3P2RX7ADRA1BHDAC4
SCHEMBL9054788 0.89 DRD3 (0.55) DRD2DRD3P2RX7DRD4
Hydrochloric Acid SCHEMBL9055462 0.88 DRD3 (0.54) DRD2DRD3P2RX7DRD4
SCHEMBL9053711 0.83 ACHE (0.56) DRD2DRD3P2RX7ADRA1BDRD4
SCHEMBL9054481 0.80 NPSR1 (0.53) P2RX7
SCHEMBL18089568 0.77 HRH3 (0.42)
SCHEMBL10760285 0.76 DRD2 (0.64) DRD2DRD3P2RX7ADRA1B
SCHEMBL347141 0.75 HPGDS (0.67) DRD2DRD3ADRA1BDRD4
SCHEMBL9836728 0.75 DRD2 (0.67) DRD2DRD3P2RX7ADRA1B

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-0706522-A1 TETRAZOLE DERIVATIVES HAVING ANTIHISTAMINIC AND ANTIALLERGIC ACTIVITY SUMITOMO METAL INDUSTRIES, LTD. (JP) 1996-04-17 EP disclosed
WO-1995001350-A1 TETRAZOLE DERIVATIVES HAVING ANTIHISTAMINIC AND ANTIALLERGIC ACTIVITY SUMITOMO METAL INDUSTRIES, LTD. (JP) 1995-01-12 WO disclosed