SCHEMBL9053324

SCHEMBL9053324

c1ccc(C(c2ccccc2)N2CCN(CCCc3nnn[nH]3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.55
DRD2 P14416 4/20 0.50
DRD3 P35462 4/20 0.50
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
DRD4 P21917 2/20 0.48
MEN1 O00255 1/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 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
SCHEMBL9052509 0.96 P2RX7 (0.57) P2RX7DRD2DRD3HDAC4HDAC1
SCHEMBL9052502 0.95 DRD2 (0.54) P2RX7DRD2DRD3HDAC4HDAC1
SCHEMBL9054788 0.93 DRD3 (0.55) P2RX7DRD2DRD3DRD4CHRM2
Hydrochloric Acid SCHEMBL9055462 0.92 DRD3 (0.54) P2RX7DRD2DRD3DRD4MEN1
SCHEMBL9053711 0.88 ACHE (0.56) P2RX7DRD2DRD3DRD4CHRM1
SCHEMBL9054481 0.84 NPSR1 (0.53) P2RX7MEN1LMNAOPRM1KMT2A
SCHEMBL347141 0.79 HPGDS (0.67) DRD2DRD3DRD4MLNRNR1I2
SCHEMBL9053460 0.75 P2RX7 (0.47) P2RX7DRD2DRD3DRD4LMNA
SCHEMBL18089568 0.74 HRH3 (0.42) HRH1
SCHEMBL9055677 0.74 HPGDS (0.60) DRD2DRD3DRD4MEN1LMNA

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