SCHEMBL9054481

SCHEMBL9054481

c1ccc(C(c2ccccc2)N2CCN(Cc3nnn[nH]3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.53
LMNA P02545 4/20 0.53
ATM Q13315 3/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 4/20 0.50
HTT P42858 4/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
USP2 O75604 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
P2RX7 Q99572 2/20 0.47

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 0.84 P2RX7 (0.55) LMNAMEN1KMT2AOPRM1P2RX7
SCHEMBL9052509 0.83 P2RX7 (0.57) P2RX7
SCHEMBL9052502 0.80 DRD2 (0.54) P2RX7
SCHEMBL9054788 0.78 DRD3 (0.55) USP2P2RX7
Hydrochloric Acid SCHEMBL9055462 0.77 DRD3 (0.54) LMNAMEN1KMT2AUSP2P2RX7
SCHEMBL14558083 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7311276 0.75 ATM (0.84) LMNAATMMEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL16226937 0.73 ATM (0.82) LMNAATMMEN1KMT2AUSP2
SCHEMBL19307814 0.72 DRD4 (0.47) ALDH1A1HTTMAPT
SCHEMBL28518961 0.72 KMT2A (0.66) NPSR1LMNAATMMEN1KMT2A

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