SCHEMBL8995915

SCHEMBL8995915

O=C(C(CCCl)c1ccc(Cl)cc1)N1CCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 4/20 0.49
HPGD P15428 4/20 0.46
RAB9A P51151 4/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NTSR1 P30989 1/20 0.45
GPX4 P36969 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
UTS2R Q9UKP6 2/20 0.44
DPP8 Q6V1X1 1/20 0.44
LMNA P02545 1/20 0.44
AKR1C3 P42330 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL8655841 0.86 HTR1A (0.52) DPP7HPGDMAPTNTSR1ALDH1A1
SCHEMBL8995907 0.81 HPGD (0.56) HPGDRAB9APOLBMAPTALDH1A1
SCHEMBL22397201 0.75 POLB (0.53) POLBLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7977861 0.73 GAA (0.47) DPP7POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL8995919 0.73 NPC1 (0.49) DPP7RAB9APOLBHTTNPC1
SCHEMBL8995910 0.73 HTR1A (0.64) NTSR1UTS2RCYP1A2CYP3A4CYP2D6
SCHEMBL8761484 0.72 HTR1A (0.53) DPP7HPGDRAB9AMAPTALDH1A1
SCHEMBL8405067 0.72 HTR1A (0.53) DPP7HPGDRAB9AMAPTALDH1A1
SCHEMBL28872797 0.72 DPP7 (0.44) DPP7NTSR1ALDH1A1UTS2RDPP8
SCHEMBL370424 0.71 DPP7 (0.48) DPP7HPGDRAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541179-A Tropon-2-one piperazine carboxamides as serotonergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US disclosed