SCHEMBL9565023

SCHEMBL9565023

Cc1ccc(Cn2c(NC3CCN(CC4COc5ccccc5O4)CC3)nc3cncnc32)o1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
HTR1A P08908 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
GBA1 P04062 1/20 0.38
DRD2 P14416 2/20 0.37

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
SCHEMBL9690668 0.87 ADRA1D (0.46) USP2POLBTSHRADRA1DADRA1A
Hydrochloric Acid SCHEMBL9564793 0.86 ADRA1D (0.41) USP2POLBTSHRADRA1DADRA1A
Oxalic Acid SCHEMBL9876420 0.85 ADRA1D (0.44) USP2POLBTSHRADRA1DADRA1A
Oxalic Acid SCHEMBL9876418 0.85 ADRA1D (0.44) USP2POLBTSHRADRA1DADRA1A
Fumaric Acid SCHEMBL9630586 0.81 ADRA1D (0.41) USP2POLBTSHRADRA1DADRA1A
SCHEMBL9564808 0.79 HTR2A (0.38) USP2ADRA1DADRA1AHTR1ASIGMAR1
SCHEMBL9564990 0.78 NR4A2 (0.40) USP2TSHR
SCHEMBL9564774 0.75 ALDH1A1 (0.44) TSHR
SCHEMBL9538250 0.71 ADRA1D (0.47) USP2POLBTSHRADRA1DADRA1A
SCHEMBL9565024 0.70 LMNA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258380-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1993-11-02 US disclosed
US-5041448-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-20 US disclosed
EP-0206415-A2 (4-Piperidinylmethyl and -hetero)purines JANSSEN PHARMACEUTICA N.V. (BE) 1986-12-30 EP disclosed